|
1234567891011121314151617181920212223242526272829303132333435363738394041424344454647484950515253545556575859606162636465666768697071727374757677787980818283848586878889909192939495969798991001011021031041051061071081091101111121131141151161171181191201211221231241251261271281291301311321331341351361371381391401411421431441451461471481491501511521531541551561571581591601611621631641651661671681691701711721731741751761771781791801811821831841851861871881891901911921931941951961971981992002012022032042052062072082092102112122132142152162172182192202212222232242252262272282292302312322332342352362372382392402412422432442452462472482492502512522532542552562572582592602612622632642652662672682692702712722732742752762772782792802812822832842852862872882892902912922932942952962972982993003013023033043053063073083093103113123133143153163173183193203213223233243253263273283293303313323333343353363373383393403413423433443453463473483493503513523533543553563573583593603613623633643653663673683693703713723733743753763773783793803813823833843853863873883893903913923933943953963973983994004014024034044054064074084094104114124134144154164174184194204214224234244254264274284294304314324334344354364374384394404414424434444454464474484494504514524534544554564574584594604614624634644654664674684694704714724734744754764774784794804814824834844854864874884894904914924934944954964974984995005015025035045055065075085095105115125135145155165175185195205215225235245255265275285295305315325335345355365375385395405415425435445455465475485495505515525535545555565575585595605615625635645655665675685695705715725735745755765775785795805815825835845855865875885895905915925935945955965975985996006016026036046056066076086096106116126136146156166176186196206216226236246256266276286296306316326336346356366376386396406416426436446456466476486496506516526536546556566576586596606616626636646656666676686696706716726736746756766776786796806816826836846856866876886896906916926936946956966976986997007017027037047057067077087097107117127137147157167177187197207217227237247257267277287297307317327337347357367377387397407417427437447457467477487497507517527537547557567577587597607617627637647657667677687697707717727737747757767777787797807817827837847857867877887897907917927937947957967977987998008018028038048058068078088098108118128138148158168178188198208218228238248258268278288298308318328338348358368378388398408418428438448458468478488498508518528538548558568578588598608618628638648658668678688698708718728738748758768778788798808818828838848858868878888898908918928938948958968978988999009019029039049059069079089099109119129139149159169179189199209219229239249259269279289299309319329339349359369379389399409419429439449459469479489499509519529539549559569579589599609619629639649659669679689699709719729739749759769779789799809819829839849859869879889899909919929939949959969979989991000100110021003100410051006100710081009101010111012101310141015101610171018101910201021102210231024102510261027102810291030103110321033103410351036103710381039104010411042104310441045104610471048104910501051105210531054105510561057105810591060106110621063106410651066106710681069107010711072107310741075107610771078107910801081108210831084108510861087108810891090109110921093109410951096109710981099110011011102110311041105110611071108110911101111111211131114111511161117111811191120112111221123112411251126112711281129113011311132113311341135113611371138113911401141114211431144114511461147114811491150115111521153115411551156115711581159116011611162116311641165116611671168116911701171117211731174117511761177117811791180118111821183118411851186118711881189119011911192119311941195119611971198119912001201120212031204120512061207120812091210121112121213121412151216121712181219122012211222122312241225122612271228122912301231123212331234123512361237123812391240124112421243124412451246124712481249125012511252125312541255125612571258125912601261126212631264126512661267126812691270127112721273127412751276127712781279128012811282128312841285128612871288128912901291129212931294129512961297129812991300130113021303130413051306130713081309131013111312131313141315131613171318131913201321132213231324132513261327132813291330133113321333133413351336133713381339134013411342134313441345134613471348134913501351135213531354135513561357135813591360136113621363136413651366136713681369137013711372137313741375137613771378137913801381138213831384138513861387138813891390139113921393139413951396139713981399140014011402140314041405140614071408140914101411141214131414141514161417141814191420142114221423142414251426142714281429143014311432143314341435143614371438143914401441144214431444144514461447144814491450145114521453145414551456145714581459146014611462146314641465146614671468146914701471147214731474147514761477147814791480148114821483148414851486148714881489149014911492149314941495149614971498149915001501150215031504150515061507150815091510151115121513151415151516151715181519152015211522152315241525152615271528152915301531153215331534153515361537153815391540154115421543154415451546154715481549155015511552155315541555155615571558155915601561156215631564156515661567156815691570157115721573157415751576157715781579158015811582158315841585158615871588158915901591159215931594159515961597159815991600160116021603160416051606160716081609161016111612161316141615161616171618161916201621162216231624162516261627162816291630163116321633163416351636163716381639164016411642164316441645164616471648164916501651165216531654165516561657165816591660166116621663166416651666166716681669167016711672167316741675167616771678167916801681168216831684168516861687168816891690169116921693169416951696169716981699170017011702170317041705170617071708170917101711171217131714171517161717171817191720172117221723172417251726172717281729173017311732173317341735173617371738173917401741174217431744174517461747174817491750175117521753175417551756175717581759176017611762176317641765176617671768176917701771177217731774177517761777177817791780178117821783178417851786178717881789179017911792179317941795179617971798179918001801180218031804180518061807180818091810181118121813181418151816181718181819182018211822182318241825182618271828182918301831183218331834183518361837183818391840184118421843184418451846184718481849185018511852185318541855185618571858185918601861186218631864186518661867186818691870187118721873187418751876187718781879188018811882188318841885188618871888188918901891189218931894189518961897189818991900190119021903190419051906190719081909191019111912191319141915191619171918191919201921192219231924192519261927192819291930193119321933193419351936193719381939194019411942194319441945194619471948194919501951195219531954195519561957195819591960196119621963196419651966196719681969197019711972197319741975197619771978197919801981198219831984198519861987198819891990199119921993199419951996199719981999200020012002200320042005200620072008200920102011201220132014201520162017201820192020202120222023202420252026202720282029203020312032203320342035203620372038203920402041204220432044204520462047204820492050205120522053205420552056205720582059206020612062206320642065206620672068206920702071207220732074207520762077207820792080208120822083208420852086208720882089209020912092209320942095209620972098209921002101210221032104210521062107210821092110211121122113211421152116211721182119212021212122212321242125212621272128212921302131213221332134213521362137213821392140214121422143214421452146214721482149215021512152215321542155215621572158215921602161216221632164216521662167216821692170217121722173217421752176217721782179218021812182218321842185218621872188218921902191219221932194219521962197219821992200220122022203220422052206220722082209221022112212221322142215221622172218221922202221222222232224222522262227222822292230223122322233223422352236223722382239224022412242224322442245224622472248224922502251225222532254225522562257225822592260226122622263226422652266226722682269227022712272227322742275227622772278227922802281228222832284228522862287228822892290229122922293229422952296229722982299230023012302230323042305230623072308230923102311231223132314231523162317231823192320232123222323232423252326232723282329233023312332233323342335233623372338233923402341234223432344234523462347234823492350235123522353235423552356235723582359236023612362236323642365236623672368236923702371237223732374237523762377237823792380238123822383238423852386238723882389239023912392239323942395239623972398239924002401240224032404240524062407240824092410241124122413241424152416241724182419242024212422242324242425242624272428242924302431243224332434243524362437243824392440244124422443244424452446244724482449245024512452245324542455245624572458245924602461246224632464246524662467246824692470247124722473247424752476247724782479248024812482248324842485 |
- #!/usr/bin/env python3
- # -*- coding: utf-8 -*-
- """
- Created on Tue Oct 20 14:25:49 2020
-
- @author: ljia
- """
-
- DATABASES = {
- 'greyc': 'https://brunl01.users.greyc.fr/CHEMISTRY/',
- 'iam': 'https://iapr-tc15.greyc.fr/IAM/',
- 'tudataset': 'http://graphlearning.io/docs/datasets/',
- }
-
-
- ### -------- database greyc -------- ###
- GREYC_META = {
- 'ACE': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 32,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 52,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/ACEDataset.tar',
- 'domain': 'small molecules',
- 'train_valid_test': [],
- 'stereoisomerism': True,
- 'load_files': ['data.ds'],
- },
- 'Acyclic': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 183,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 8.15,
- 'ave_edge_num': 7.15,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/Acyclic.tar.gz',
- 'domain': 'small molecules',
- 'train_valid_test': None,
- 'stereoisomerism': False,
- 'load_files': ['dataset_bps.ds'],
- },
- 'AIDS_greyc': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 2000,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 15.69,
- 'ave_edge_num': 16.20,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://iapr-tc15.greyc.fr/IAM/AIDS.zip',
- 'domain': 'small molecules',
- 'train_valid_test': ['data/train.cxl', 'data/valid.cxl', 'data/test.cxl',],
- 'stereoisomerism': False,
- 'load_files': ['data/'],
- },
- 'Alkane': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 150,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 8.87,
- 'ave_edge_num': 7.87,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/alkane_dataset.tar.gz',
- 'domain': 'small molecules',
- 'train_valid_test': None,
- 'stereoisomerism': False,
- 'load_files': ['dataset.ds', 'dataset_boiling_point_names.txt'],
- },
- 'Chiral': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 35,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 21.29,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/DatasetAcyclicChiral.tar',
- 'domain': 'small molecules',
- 'train_valid_test': [],
- 'stereoisomerism': True,
- 'load_files': [],
- },
- 'MAO': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 68,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 18.38,
- 'ave_edge_num': 19.63,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/mao.tgz',
- 'domain': 'small molecules',
- 'train_valid_test': None,
- 'stereoisomerism': False,
- 'load_files': ['dataset.ds'],
- },
- 'Monoterpenoides': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 382,
- 'class_number': 10,
- 'task_type': 'classification',
- 'ave_node_num': 10,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/monoterpenoides.tar.gz',
- 'domain': 'small molecules',
- 'train_valid_test': None,
- 'stereoisomerism': False,
- 'load_files': ['dataset_10+.ds'],
- },
- 'PAH': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 94,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 20.7,
- 'ave_edge_num': 24.43,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/PAH.tar.gz',
- 'domain': 'small molecules',
- 'train_valid_test': ['trainset_0.ds', None, 'testset_0.ds'],
- 'stereoisomerism': False,
- 'load_files': [['trainset_0.ds', 'testset_0.ds']],
- },
- 'PTC': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 416,
- 'class_number': None,
- 'task_type': 'classification',
- 'ave_node_num': 14.4,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/ptc.tgz',
- 'domain': 'small molecules',
- 'train_valid_test': None,
- 'stereoisomerism': False,
- 'load_files': [],
- 'extra_info': 'This dataset has test and train datasets. Select gender between mm, fm, mr, fr. \ndataloader = DataLoader(\'Ptc\',root = ..., option = \'mm\') \ntest,train = dataloader.dataset \nGs_test, y_test = test \nGs_train_, y_train = train',
- },
- 'Steroid': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 64,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 75.11,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/SteroidDataset.tar',
- 'domain': 'small molecules',
- 'train_valid_test': ['trainset_0.ds', None, 'testset_0.ds'],
- 'stereoisomerism': False,
- 'load_files': [],
- },
- 'Vitamin_D': {
- 'database': 'greyc',
- 'reference': None,
- 'dataset_size': 69,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 76.91,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://brunl01.users.greyc.fr/CHEMISTRY/DatasetVitamin.tar',
- 'domain': 'small molecules',
- 'train_valid_test': [],
- 'stereoisomerism': True,
- 'load_files': [],
- },
- }
-
-
- ### -------- database iam -------- ###
- # @todo: several datasets in this database are included in TUDataset. However they do not include train/valid/test sets.
- IAM_META = {
- 'GREC': {
- 'database': 'iam',
- 'reference': None,
- 'dataset_size': None,
- 'class_number': None,
- 'task_type': None,
- 'ave_node_num': None,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://iapr-tc15.greyc.fr/IAM/GREC.zip',
- 'domain': None,
- 'train_valid_test': ['data/test.cxl','data/train.cxl', 'data/valid.cxl'],
- 'load_files': [],
- },
- 'Web': {
- 'database': 'iam',
- 'reference': None,
- 'dataset_size': None,
- 'class_number': None,
- 'task_type': None,
- 'ave_node_num': None,
- 'ave_edge_num': None,
- 'node_labeled': None,
- 'edge_labeled': None,
- 'node_attr_dim': None,
- 'geometry': None,
- 'edge_attr_dim': None,
- 'url': 'https://iapr-tc15.greyc.fr/IAM/Web.zip',
- 'domain': None,
- 'train_valid_test': ['data/test.cxl', 'data/train.cxl', 'data/valid.cxl'],
- 'load_files': [],
- },
- }
-
-
- ### -------- database tudataset -------- ###
- TUDataset_META = {
- ### small molecules
- 'AIDS': {
- 'database': 'tudataset',
- 'reference': '[16,17]',
- 'dataset_size': 2000,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 15.69,
- 'ave_edge_num': 16.2,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 4,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/AIDS.zip',
- 'domain': 'small molecules',
- },
- 'alchemy_full': {
- 'database': 'tudataset',
- 'reference': '[29]',
- 'dataset_size': 202579,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 10.1,
- 'ave_edge_num': 10.44,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 3,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/alchemy_full.zip',
- 'domain': 'small molecules',
- },
- 'aspirin': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 111763,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 21.0,
- 'ave_edge_num': 151.52,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/aspirin.zip',
- 'domain': 'small molecules',
- },
- 'benzene': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 527984,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 12.0,
- 'ave_edge_num': 64.94,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/benzene.zip',
- 'domain': 'small molecules',
- },
- 'BZR': {
- 'database': 'tudataset',
- 'reference': '[7]',
- 'dataset_size': 405,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 35.75,
- 'ave_edge_num': 38.36,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 3,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/BZR.zip',
- 'domain': 'small molecules',
- },
- 'BZR_MD': {
- 'database': 'tudataset',
- 'reference': '[7,23]',
- 'dataset_size': 306,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.3,
- 'ave_edge_num': 225.06,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 1,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/BZR_MD.zip',
- 'domain': 'small molecules',
- },
- 'COX2': {
- 'database': 'tudataset',
- 'reference': '[7]',
- 'dataset_size': 467,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 41.22,
- 'ave_edge_num': 43.45,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 3,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/COX2.zip',
- 'domain': 'small molecules',
- },
- 'COX2_MD': {
- 'database': 'tudataset',
- 'reference': '[7,23]',
- 'dataset_size': 303,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.28,
- 'ave_edge_num': 335.12,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 1,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/COX2_MD.zip',
- 'domain': 'small molecules',
- },
- 'DHFR': {
- 'database': 'tudataset',
- 'reference': '[7]',
- 'dataset_size': 467,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 42.43,
- 'ave_edge_num': 44.54,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 3,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/DHFR.zip',
- 'domain': 'small molecules',
- },
- 'DHFR_MD': {
- 'database': 'tudataset',
- 'reference': '[7,23]',
- 'dataset_size': 393,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 23.87,
- 'ave_edge_num': 283.01,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 1,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/DHFR_MD.zip',
- 'domain': 'small molecules',
- },
- 'ER_MD': {
- 'database': 'tudataset',
- 'reference': '[7,23]',
- 'dataset_size': 446,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.33,
- 'ave_edge_num': 234.85,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 1,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/ER_MD.zip',
- 'domain': 'small molecules',
- },
- 'ethanol': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 455093,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 9.0,
- 'ave_edge_num': 36.0,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/ethanol.zip',
- 'domain': 'small molecules',
- },
- 'FRANKENSTEIN': {
- 'database': 'tudataset',
- 'reference': '[15]',
- 'dataset_size': 4337,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 16.9,
- 'ave_edge_num': 17.88,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 780,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/FRANKENSTEIN.zip',
- 'domain': 'small molecules',
- },
- 'malonaldehyde': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 893238,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 9.0,
- 'ave_edge_num': 36.0,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/malonaldehyde.zip',
- 'domain': 'small molecules',
- },
- 'MCF-7': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 27770,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.39,
- 'ave_edge_num': 28.52,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MCF-7.zip',
- 'domain': 'small molecules',
- },
- 'MCF-7H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 27770,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 47.3,
- 'ave_edge_num': 49.43,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MCF-7H.zip',
- 'domain': 'small molecules',
- },
- 'MOLT-4': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 39765,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.09,
- 'ave_edge_num': 28.13,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MOLT-4.zip',
- 'domain': 'small molecules',
- },
- 'MOLT-4H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 39765,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 46.7,
- 'ave_edge_num': 48.73,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MOLT-4H.zip',
- 'domain': 'small molecules',
- },
- 'Mutagenicity': {
- 'database': 'tudataset',
- 'reference': '[16,20]',
- 'dataset_size': 4337,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 30.32,
- 'ave_edge_num': 30.77,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Mutagenicity.zip',
- 'domain': 'small molecules',
- },
- 'MUTAG': {
- 'database': 'tudataset',
- 'reference': '[1,23]',
- 'dataset_size': 188,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.93,
- 'ave_edge_num': 19.79,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MUTAG.zip',
- 'domain': 'small molecules',
- },
- 'naphthalene': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 226256,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 18.0,
- 'ave_edge_num': 127.37,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/naphthalene.zip',
- 'domain': 'small molecules',
- },
- 'NCI1': {
- 'database': 'tudataset',
- 'reference': '[8,9,22]',
- 'dataset_size': 4110,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 29.87,
- 'ave_edge_num': 32.3,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/NCI1.zip',
- 'domain': 'small molecules',
- },
- 'NCI109': {
- 'database': 'tudataset',
- 'reference': '[8,9,22]',
- 'dataset_size': 4127,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 29.68,
- 'ave_edge_num': 32.13,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/NCI109.zip',
- 'domain': 'small molecules',
- },
- 'NCI-H23': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40353,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.07,
- 'ave_edge_num': 28.1,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/NCI-H23.zip',
- 'domain': 'small molecules',
- },
- 'NCI-H23H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40353,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 46.67,
- 'ave_edge_num': 48.69,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/NCI-H23H.zip',
- 'domain': 'small molecules',
- },
- 'OVCAR-8': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40516,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.07,
- 'ave_edge_num': 28.1,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/OVCAR-8.zip',
- 'domain': 'small molecules',
- },
- 'OVCAR-8H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40516,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 46.67,
- 'ave_edge_num': 48.7,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/OVCAR-8H.zip',
- 'domain': 'small molecules',
- },
- 'P388': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 41472,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.11,
- 'ave_edge_num': 23.55,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/P388.zip',
- 'domain': 'small molecules',
- },
- 'P388H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 41472,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 40.44,
- 'ave_edge_num': 41.88,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/P388H.zip',
- 'domain': 'small molecules',
- },
- 'PC-3': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 27509,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.35,
- 'ave_edge_num': 28.49,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PC-3.zip',
- 'domain': 'small molecules',
- },
- 'PC-3H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 27509,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 47.19,
- 'ave_edge_num': 49.32,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PC-3H.zip',
- 'domain': 'small molecules',
- },
- 'PTC_FM': {
- 'database': 'tudataset',
- 'reference': '[2,23]',
- 'dataset_size': 349,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 14.11,
- 'ave_edge_num': 14.48,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PTC_FM.zip',
- 'domain': 'small molecules',
- },
- 'PTC_FR': {
- 'database': 'tudataset',
- 'reference': '[2,23]',
- 'dataset_size': 351,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 14.56,
- 'ave_edge_num': 15.0,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PTC_FR.zip',
- 'domain': 'small molecules',
- },
- 'PTC_MM': {
- 'database': 'tudataset',
- 'reference': '[2,23]',
- 'dataset_size': 336,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 13.97,
- 'ave_edge_num': 14.32,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PTC_MM.zip',
- 'domain': 'small molecules',
- },
- 'PTC_MR': {
- 'database': 'tudataset',
- 'reference': '[2,23]',
- 'dataset_size': 344,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 14.29,
- 'ave_edge_num': 14.69,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PTC_MR.zip',
- 'domain': 'small molecules',
- },
- 'QM9': {
- 'database': 'tudataset',
- 'reference': '[33,34,35]',
- 'dataset_size': 129433,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 18.03,
- 'ave_edge_num': 18.63,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 16,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 4,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/QM9.zip',
- 'domain': 'small molecules',
- },
- 'salicylic_acid': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 220232,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 16.0,
- 'ave_edge_num': 104.13,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/salicylic_acid.zip',
- 'domain': 'small molecules',
- },
- 'SF-295': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40271,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.06,
- 'ave_edge_num': 28.08,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SF-295.zip',
- 'domain': 'small molecules',
- },
- 'SF-295H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40271,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 46.65,
- 'ave_edge_num': 48.68,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SF-295H.zip',
- 'domain': 'small molecules',
- },
- 'SN12C': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40004,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.08,
- 'ave_edge_num': 28.11,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SN12C.zip',
- 'domain': 'small molecules',
- },
- 'SN12CH': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40004,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 46.69,
- 'ave_edge_num': 48.71,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SN12CH.zip',
- 'domain': 'small molecules',
- },
- 'SW-620': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40532,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.05,
- 'ave_edge_num': 28.08,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SW-620.zip',
- 'domain': 'small molecules',
- },
- 'SW-620H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 40532,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 46.62,
- 'ave_edge_num': 48.65,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SW-620H.zip',
- 'domain': 'small molecules',
- },
- 'toluene': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 342791,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 15.0,
- 'ave_edge_num': 96.15,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/toluene.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AhR_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 8169,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 18.09,
- 'ave_edge_num': 18.5,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AhR_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AhR_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 272,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.13,
- 'ave_edge_num': 23.05,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AhR_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AhR_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 607,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.64,
- 'ave_edge_num': 18.06,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AhR_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AR_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 9362,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 18.39,
- 'ave_edge_num': 18.84,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AR_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AR_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 292,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.35,
- 'ave_edge_num': 23.32,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AR_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AR_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 585,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.99,
- 'ave_edge_num': 18.45,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AR_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AR-LBD_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 8599,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.77,
- 'ave_edge_num': 18.16,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AR-LBD_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AR-LBD_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 253,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.85,
- 'ave_edge_num': 22.73,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AR-LBD_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_AR-LBD_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 580,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.09,
- 'ave_edge_num': 17.42,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_AR-LBD_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ARE_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 7167,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 16.28,
- 'ave_edge_num': 16.52,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ARE_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ARE_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 234,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.99,
- 'ave_edge_num': 22.91,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ARE_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ARE_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 552,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.01,
- 'ave_edge_num': 17.33,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ARE_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_aromatase_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 7226,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.5,
- 'ave_edge_num': 17.79,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_aromatase_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_aromatase_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 214,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.65,
- 'ave_edge_num': 22.36,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_aromatase_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_aromatase_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 528,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 16.74,
- 'ave_edge_num': 16.99,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_aromatase_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ATAD5_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 9091,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.89,
- 'ave_edge_num': 18.3,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ATAD5_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ATAD5_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 272,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.99,
- 'ave_edge_num': 22.89,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ATAD5_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ATAD5_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 619,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.68,
- 'ave_edge_num': 18.11,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ATAD5_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ER_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 7697,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.58,
- 'ave_edge_num': 17.94,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ER_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ER_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 265,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.16,
- 'ave_edge_num': 23.13,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ER_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ER_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 515,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.66,
- 'ave_edge_num': 18.1,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ER_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ER-LBD_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 8753,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 18.06,
- 'ave_edge_num': 18.47,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ER-LBD_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ER-LBD_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 287,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.28,
- 'ave_edge_num': 23.23,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ER-LBD_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_ER-LBD_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 599,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.75,
- 'ave_edge_num': 18.17,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_ER-LBD_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_HSE_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 8150,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 16.72,
- 'ave_edge_num': 17.04,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_HSE_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_HSE_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 267,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.07,
- 'ave_edge_num': 23.0,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_HSE_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_HSE_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 607,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.61,
- 'ave_edge_num': 18.01,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_HSE_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_MMP_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 7320,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.49,
- 'ave_edge_num': 17.83,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_MMP_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_MMP_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 238,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.68,
- 'ave_edge_num': 22.55,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_MMP_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_MMP_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 541,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 16.67,
- 'ave_edge_num': 16.88,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_MMP_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_p53_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 8634,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.79,
- 'ave_edge_num': 18.19,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_p53_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_p53_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 269,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.14,
- 'ave_edge_num': 23.04,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_p53_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_p53_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 613,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.34,
- 'ave_edge_num': 17.72,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_p53_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_PPAR-gamma_training': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 8184,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.23,
- 'ave_edge_num': 17.55,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_PPAR-gamma_training.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_PPAR-gamma_testing': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 267,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 22.04,
- 'ave_edge_num': 22.93,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_PPAR-gamma_testing.zip',
- 'domain': 'small molecules',
- },
- 'Tox21_PPAR-gamma_evaluation': {
- 'database': 'tudataset',
- 'reference': '[24]',
- 'dataset_size': 602,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 17.38,
- 'ave_edge_num': 17.77,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Tox21_PPAR-gamma_evaluation.zip',
- 'domain': 'small molecules',
- },
- 'UACC257': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 39988,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.09,
- 'ave_edge_num': 28.12,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/UACC257.zip',
- 'domain': 'small molecules',
- },
- 'UACC257H': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 39988,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 46.68,
- 'ave_edge_num': 48.71,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/UACC257H.zip',
- 'domain': 'small molecules',
- },
- 'uracil': {
- 'database': 'tudataset',
- 'reference': '[36]',
- 'dataset_size': 133770,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 12.0,
- 'ave_edge_num': 64.44,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 6,
- 'geometry': '3D, RI',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/uracil.zip',
- 'domain': 'small molecules',
- },
- 'Yeast': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 79601,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 21.54,
- 'ave_edge_num': 22.84,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Yeast.zip',
- 'domain': 'small molecules',
- },
- 'YeastH': {
- 'database': 'tudataset',
- 'reference': '[28]',
- 'dataset_size': 79601,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 39.44,
- 'ave_edge_num': 40.74,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/YeastH.zip',
- 'domain': 'small molecules',
- },
- 'ZINC_full': {
- 'database': 'tudataset',
- 'reference': '[31]',
- 'dataset_size': 249456,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 23.14,
- 'ave_edge_num': 24.91,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/ZINC_full.zip',
- 'domain': 'small molecules',
- },
- 'ZINC_test': {
- 'database': 'tudataset',
- 'reference': '[31]',
- 'dataset_size': 5000,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 23.1,
- 'ave_edge_num': 24.83,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/ZINC_test.zip',
- 'domain': 'small molecules',
- },
- 'ZINC_train': {
- 'database': 'tudataset',
- 'reference': '[31]',
- 'dataset_size': 220011,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 23.15,
- 'ave_edge_num': 24.91,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/ZINC_train.zip',
- 'domain': 'small molecules',
- },
- 'ZINC_val': {
- 'database': 'tudataset',
- 'reference': '[31]',
- 'dataset_size': 24445,
- 'class_number': None,
- 'task_type': 'regression',
- 'ave_node_num': 23.13,
- 'ave_edge_num': 24.88,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/ZINC_val.zip',
- 'domain': 'small molecules',
- },
-
- ### bioinformatics
- 'DD': {
- 'database': 'tudataset',
- 'reference': '[6,22]',
- 'dataset_size': 1178,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 284.32,
- 'ave_edge_num': 715.66,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/DD.zip',
- 'domain': 'bioinformatics',
- },
- 'ENZYMES': {
- 'database': 'tudataset',
- 'reference': '[4,5]',
- 'dataset_size': 600,
- 'class_number': 6,
- 'task_type': 'classification',
- 'ave_node_num': 32.63,
- 'ave_edge_num': 62.14,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 18,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'http://www.chrsmrrs.com/graphkerneldatasets/ENZYMES.zip',
- 'domain': 'bioinformatics',
- },
- 'KKI': {
- 'database': 'tudataset',
- 'reference': '[26]',
- 'dataset_size': 83,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 26.96,
- 'ave_edge_num': 48.42,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/KKI.zip',
- 'domain': 'bioinformatics',
- },
- 'OHSU': {
- 'database': 'tudataset',
- 'reference': '[26]',
- 'dataset_size': 79,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 82.01,
- 'ave_edge_num': 199.66,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/OHSU.zip',
- 'domain': 'bioinformatics',
- },
- 'Peking_1': {
- 'database': 'tudataset',
- 'reference': '[26]',
- 'dataset_size': 85,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 39.31,
- 'ave_edge_num': 77.35,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Peking_1.zip',
- 'domain': 'bioinformatics',
- },
- 'PROTEINS': {
- 'database': 'tudataset',
- 'reference': '[4,6]',
- 'dataset_size': 1113,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 39.06,
- 'ave_edge_num': 72.82,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 1,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PROTEINS.zip',
- 'domain': 'bioinformatics',
- },
- 'PROTEINS_full': {
- 'database': 'tudataset',
- 'reference': '[4,6]',
- 'dataset_size': 1113,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 39.06,
- 'ave_edge_num': 72.82,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 29,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/PROTEINS_full.zip',
- 'domain': 'bioinformatics',
- },
-
- ### computer vision
- 'COIL-DEL': {
- 'database': 'tudataset',
- 'reference': '[16,18]',
- 'dataset_size': 3900,
- 'class_number': 100,
- 'task_type': 'classification',
- 'ave_node_num': 21.54,
- 'ave_edge_num': 54.24,
- 'node_labeled': False,
- 'edge_labeled': True,
- 'node_attr_dim': 2,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/COIL-DEL.zip',
- 'domain': 'computer vision',
- },
- 'COIL-RAG': {
- 'database': 'tudataset',
- 'reference': '[16,18]',
- 'dataset_size': 3900,
- 'class_number': 100,
- 'task_type': 'classification',
- 'ave_node_num': 3.01,
- 'ave_edge_num': 3.02,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 64,
- 'geometry': None,
- 'edge_attr_dim': 1,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/COIL-RAG.zip',
- 'domain': 'computer vision',
- },
- 'Cuneiform': {
- 'database': 'tudataset',
- 'reference': '[25]',
- 'dataset_size': 267,
- 'class_number': 30,
- 'task_type': 'classification',
- 'ave_node_num': 21.27,
- 'ave_edge_num': 44.8,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 3,
- 'geometry': '3D',
- 'edge_attr_dim': 2,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Cuneiform.zip',
- 'domain': 'computer vision',
- },
- 'Fingerprint': {
- 'database': 'tudataset',
- 'reference': '[16,19]',
- 'dataset_size': 2800,
- 'class_number': 4,
- 'task_type': 'classification',
- 'ave_node_num': 5.42,
- 'ave_edge_num': 4.42,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 2,
- 'geometry': '2D',
- 'edge_attr_dim': 2,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Fingerprint.zip',
- 'domain': 'computer vision',
- },
- 'FIRSTMM_DB': {
- 'database': 'tudataset',
- 'reference': '[11,12,13]',
- 'dataset_size': 41,
- 'class_number': 11,
- 'task_type': 'classification',
- 'ave_node_num': 1377.27,
- 'ave_edge_num': 3074.1,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 1,
- 'geometry': None,
- 'edge_attr_dim': 2,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/FIRSTMM_DB.zip',
- 'domain': 'computer vision',
- },
- 'Letter-high': {
- 'database': 'tudataset',
- 'reference': '[16]',
- 'dataset_size': 2250,
- 'class_number': 15,
- 'task_type': 'classification',
- 'ave_node_num': 4.67,
- 'ave_edge_num': 4.5,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 2,
- 'geometry': '2D',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Letter-high.zip',
- 'domain': 'computer vision',
- },
- 'Letter-low': {
- 'database': 'tudataset',
- 'reference': '[16]',
- 'dataset_size': 2250,
- 'class_number': 15,
- 'task_type': 'classification',
- 'ave_node_num': 4.68,
- 'ave_edge_num': 3.13,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 2,
- 'geometry': '2D',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Letter-low.zip',
- 'domain': 'computer vision',
- },
- 'Letter-med': {
- 'database': 'tudataset',
- 'reference': '[16]',
- 'dataset_size': 2250,
- 'class_number': 15,
- 'task_type': 'classification',
- 'ave_node_num': 4.67,
- 'ave_edge_num': 4.5,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 2,
- 'geometry': '2D',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Letter-med.zip',
- 'domain': 'computer vision',
- },
- 'MSRC_9': {
- 'database': 'tudataset',
- 'reference': '[13]',
- 'dataset_size': 221,
- 'class_number': 8,
- 'task_type': 'classification',
- 'ave_node_num': 40.58,
- 'ave_edge_num': 97.94,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MSRC_9.zip',
- 'domain': 'computer vision',
- },
- 'MSRC_21': {
- 'database': 'tudataset',
- 'reference': '[13]',
- 'dataset_size': 563,
- 'class_number': 20,
- 'task_type': 'classification',
- 'ave_node_num': 77.52,
- 'ave_edge_num': 198.32,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MSRC_21.zip',
- 'domain': 'computer vision',
- },
- 'MSRC_21C': {
- 'database': 'tudataset',
- 'reference': '[13]',
- 'dataset_size': 209,
- 'class_number': 20,
- 'task_type': 'classification',
- 'ave_node_num': 40.28,
- 'ave_edge_num': 96.6,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/MSRC_21C.zip',
- 'domain': 'computer vision',
- },
-
- ### social networks
- 'COLLAB': {
- 'database': 'tudataset',
- 'reference': '[14]',
- 'dataset_size': 5000,
- 'class_number': 3,
- 'task_type': 'classification',
- 'ave_node_num': 74.49,
- 'ave_edge_num': 2457.78,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/COLLAB.zip',
- 'domain': 'social networks',
- },
- 'dblp_ct1': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 755,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 52.87,
- 'ave_edge_num': 320.09,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/dblp_ct1.zip',
- 'domain': 'social networks',
- },
- 'dblp_ct2': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 755,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 52.87,
- 'ave_edge_num': 320.09,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/dblp_ct2.zip',
- 'domain': 'social networks',
- },
- 'DBLP_v1': {
- 'database': 'tudataset',
- 'reference': '[26]',
- 'dataset_size': 19456,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 10.48,
- 'ave_edge_num': 19.65,
- 'node_labeled': True,
- 'edge_labeled': True,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/DBLP_v1.zip',
- 'domain': 'social networks',
- },
- 'deezer_ego_nets': {
- 'database': 'tudataset',
- 'reference': '[30]',
- 'dataset_size': 9629,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 23.49,
- 'ave_edge_num': 65.25,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/deezer_ego_nets.zip',
- 'domain': 'social networks',
- },
- 'facebook_ct1': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 995,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 95.72,
- 'ave_edge_num': 269.01,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/facebook_ct1.zip',
- 'domain': 'social networks',
- },
- 'facebook_ct2': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 995,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 95.72,
- 'ave_edge_num': 269.01,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/facebook_ct2.zip',
- 'domain': 'social networks',
- },
- 'github_stargazers': {
- 'database': 'tudataset',
- 'reference': '[30]',
- 'dataset_size': 12725,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 113.79,
- 'ave_edge_num': 234.64,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/github_stargazers.zip',
- 'domain': 'social networks',
- },
- 'highschool_ct1': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 180,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 52.32,
- 'ave_edge_num': 544.81,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/highschool_ct1.zip',
- 'domain': 'social networks',
- },
- 'highschool_ct2': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 180,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 52.32,
- 'ave_edge_num': 544.81,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/highschool_ct2.zip',
- 'domain': 'social networks',
- },
- 'IMDB-BINARY': {
- 'database': 'tudataset',
- 'reference': '[14]',
- 'dataset_size': 1000,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 19.77,
- 'ave_edge_num': 96.53,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': '',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/IMDB-BINARY.zip',
- 'domain': 'social networks',
- },
- 'IMDB-MULTI': {
- 'database': 'tudataset',
- 'reference': '[14]',
- 'dataset_size': 1500,
- 'class_number': 3,
- 'task_type': 'classification',
- 'ave_node_num': 13.0,
- 'ave_edge_num': 65.94,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': '',
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/IMDB-MULTI.zip',
- 'domain': 'social networks',
- },
- 'infectious_ct1': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 200,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 50.0,
- 'ave_edge_num': 459.72,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/infectious_ct1.zip',
- 'domain': 'social networks',
- },
- 'infectious_ct2': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 200,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 50.0,
- 'ave_edge_num': 459.72,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/infectious_ct2.zip',
- 'domain': 'social networks',
- },
- 'mit_ct1': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 97,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 20.0,
- 'ave_edge_num': 1469.15,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/mit_ct1.zip',
- 'domain': 'social networks',
- },
- 'mit_ct2': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 97,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 20.0,
- 'ave_edge_num': 1469.15,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/mit_ct2.zip',
- 'domain': 'social networks',
- },
- 'REDDIT-BINARY': {
- 'database': 'tudataset',
- 'reference': '[14]',
- 'dataset_size': 2000,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 429.63,
- 'ave_edge_num': 497.75,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/REDDIT-BINARY.zip',
- 'domain': 'social networks',
- },
- 'REDDIT-MULTI-5K': {
- 'database': 'tudataset',
- 'reference': '[14]',
- 'dataset_size': 4999,
- 'class_number': 5,
- 'task_type': 'classification',
- 'ave_node_num': 508.52,
- 'ave_edge_num': 594.87,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/REDDIT-MULTI-5K.zip',
- 'domain': 'social networks',
- },
- 'REDDIT-MULTI-12K': {
- 'database': 'tudataset',
- 'reference': '[14]',
- 'dataset_size': 11929,
- 'class_number': 11,
- 'task_type': 'classification',
- 'ave_node_num': 391.41,
- 'ave_edge_num': 456.89,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/REDDIT-MULTI-12K.zip',
- 'domain': 'social networks',
- },
- 'reddit_threads': {
- 'database': 'tudataset',
- 'reference': '[30]',
- 'dataset_size': 203088,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 23.93,
- 'ave_edge_num': 24.99,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/reddit_threads.zip',
- 'domain': 'social networks',
- },
- 'tumblr_ct1': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 373,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 53.11,
- 'ave_edge_num': 199.78,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/tumblr_ct1.zip',
- 'domain': 'social networks',
- },
- 'tumblr_ct2': {
- 'database': 'tudataset',
- 'reference': '[32]',
- 'dataset_size': 373,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 53.11,
- 'ave_edge_num': 199.78,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 'temporal',
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/tumblr_ct2.zip',
- 'domain': 'social networks',
- },
- 'twitch_egos': {
- 'database': 'tudataset',
- 'reference': '[30]',
- 'dataset_size': 127094,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 29.67,
- 'ave_edge_num': 86.59,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/twitch_egos.zip',
- 'domain': 'social networks',
- },
- 'TWITTER-Real-Graph-Partial': {
- 'database': 'tudataset',
- 'reference': '[26]',
- 'dataset_size': 144033,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 4.03,
- 'ave_edge_num': 4.98,
- 'node_labeled': True,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 1,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/TWITTER-Real-Graph-Partial.zip',
- 'domain': 'social networks',
- },
-
- ### synthetic
- 'COLORS-3': {
- 'database': 'tudataset',
- 'reference': '[27]',
- 'dataset_size': 10500,
- 'class_number': 11,
- 'task_type': 'classification',
- 'ave_node_num': 61.31,
- 'ave_edge_num': 91.03,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 4,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/COLORS-3.zip',
- 'domain': 'synthetic',
- },
- 'SYNTHETIC': {
- 'database': 'tudataset',
- 'reference': '[3]',
- 'dataset_size': 300,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 100.0,
- 'ave_edge_num': 196.0,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 1,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SYNTHETIC.zip',
- 'domain': 'synthetic',
- },
- 'SYNTHETICnew': {
- 'database': 'tudataset',
- 'reference': '[3,10]',
- 'dataset_size': 300,
- 'class_number': 2,
- 'task_type': 'classification',
- 'ave_node_num': 100.0,
- 'ave_edge_num': 196.25,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 1,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/SYNTHETICnew.zip',
- 'domain': 'synthetic',
- },
- 'Synthie': {
- 'database': 'tudataset',
- 'reference': '[21]',
- 'dataset_size': 400,
- 'class_number': 4,
- 'task_type': 'classification',
- 'ave_node_num': 95.0,
- 'ave_edge_num': 172.93,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 15,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/Synthie.zip',
- 'domain': 'synthetic',
- },
- 'TRIANGLES': {
- 'database': 'tudataset',
- 'reference': '[27]',
- 'dataset_size': 45000,
- 'class_number': 10,
- 'task_type': 'classification',
- 'ave_node_num': 20.85,
- 'ave_edge_num': 32.74,
- 'node_labeled': False,
- 'edge_labeled': False,
- 'node_attr_dim': 0,
- 'geometry': None,
- 'edge_attr_dim': 0,
- 'url': 'https://www.chrsmrrs.com/graphkerneldatasets/TRIANGLES.zip',
- 'domain': 'synthetic',
- },
- }
-
-
- DATASET_META = {**GREYC_META, **IAM_META, **TUDataset_META}
-
-
- def list_of_databases():
- """List names of all databases.
-
- Returns
- -------
- list
- The list of all databases.
- """
- return [i for i in DATABASES]
-
-
- def list_of_datasets():
- """List names of all datasets.
-
- Returns
- -------
- list
- The list of all datasets.
- """
- return [i for i in DATASET_META]
|