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New translations get_dataset_attributes.ipynb (Chinese Simplified)

l10n_v0.2.x
linlin 4 years ago
parent
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      lang/zh/notebooks/utils/get_dataset_attributes.ipynb

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{
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"metadata": {
"scrolled": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"\n",
"Acyclic:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 183\n",
"ave_node_num : 8.153005464480874\n",
"min_node_num : 3\n",
"max_node_num : 11\n",
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"max_edge_num : 10\n",
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"min_node_degree : 1.3333333333333333\n",
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"ave_fill_factor : 0.11241161841596808\n",
"min_fill_factor : 0.08264462809917356\n",
"max_fill_factor : 0.2222222222222222\n",
"node_label_num : 3\n",
"edge_label_num : 1\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 148\n",
"\n",
"\n",
"Alkane:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : False\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 150\n",
"ave_node_num : 8.873333333333333\n",
"min_node_num : 1\n",
"max_node_num : 10\n",
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"max_edge_num : 9\n",
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"ave_fill_factor : 0.10199498404299989\n",
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"max_fill_factor : 0.25\n",
"node_label_num : 1\n",
"edge_label_num : 1\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 123\n",
"\n",
"\n",
"MAO:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : True\n",
"is_directed : False\n",
"dataset_size : 68\n",
"ave_node_num : 18.38235294117647\n",
"min_node_num : 11\n",
"max_node_num : 27\n",
"ave_edge_num : 19.63235294117647\n",
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"min_node_degree : 2.090909090909091\n",
"max_node_degree : 2.2\n",
"ave_fill_factor : 0.060638921710159575\n",
"min_fill_factor : 0.039780521262002745\n",
"max_fill_factor : 0.09917355371900827\n",
"node_label_num : 3\n",
"edge_label_num : 4\n",
"node_attr_dim : 0\n",
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"class_number : 2\n",
"\n",
"\n",
"PAH:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : False\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 94\n",
"ave_node_num : 20.70212765957447\n",
"min_node_num : 10\n",
"max_node_num : 28\n",
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"min_node_degree : 2.2\n",
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"ave_fill_factor : 0.05799294134806485\n",
"min_fill_factor : 0.04336734693877551\n",
"max_fill_factor : 0.11\n",
"node_label_num : 1\n",
"edge_label_num : 1\n",
"node_attr_dim : 0\n",
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"class_number : 2\n",
"\n",
"\n",
"MUTAG:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : True\n",
"is_directed : False\n",
"dataset_size : 188\n",
"ave_node_num : 17.930851063829788\n",
"min_node_num : 10\n",
"max_node_num : 28\n",
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"min_node_degree : 2.0\n",
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"ave_fill_factor : 0.06480462822996713\n",
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"max_fill_factor : 0.1\n",
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"node_attr_dim : 0\n",
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"class_number : 2\n",
"\n",
"\n",
"Letter-med:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : False\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 2250\n",
"ave_node_num : 4.674666666666667\n",
"min_node_num : 1\n",
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"min_node_degree : 0.0\n",
"max_node_degree : 2.4\n",
"ave_fill_factor : 0.15517701625094482\n",
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"node_label_num : 0\n",
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"node_attr_dim : 2\n",
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"class_number : 15\n",
"\n",
"\n",
"ENZYMES:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 600\n",
"ave_node_num : 32.63333333333333\n",
"min_node_num : 2\n",
"max_node_num : 126\n",
"ave_edge_num : 62.13666666666666\n",
"min_edge_num : 1\n",
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"min_node_degree : 0.32\n",
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"ave_fill_factor : 0.07509817146721588\n",
"min_fill_factor : 0.0016\n",
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"node_attr_dim : 18\n",
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"class_number : 6\n",
"\n",
"\n",
"D&D:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 1178\n",
"ave_node_num : 284.3166383701188\n",
"min_node_num : 30\n",
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"ave_edge_num : 715.6587436332767\n",
"min_edge_num : 63\n",
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"min_node_degree : 3.6116504854368934\n",
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"ave_fill_factor : 0.013790239865199101\n",
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"class_number : 2\n",
"\n",
"\n",
"NCI1:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 4110\n",
"ave_node_num : 29.8654501216545\n",
"min_node_num : 3\n",
"max_node_num : 111\n",
"ave_edge_num : 32.3\n",
"min_edge_num : 2\n",
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"ave_node_degree : 2.155013792267071\n",
"min_node_degree : 0.8\n",
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"ave_fill_factor : 0.04239828192835043\n",
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"max_fill_factor : 0.2222222222222222\n",
"node_label_num : 37\n",
"edge_label_num : 0\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"NCI109:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 4127\n",
"ave_node_num : 29.681124303368065\n",
"min_node_num : 4\n",
"max_node_num : 111\n",
"ave_edge_num : 32.13084565059365\n",
"min_edge_num : 3\n",
"max_edge_num : 119\n",
"ave_node_degree : 2.156446168619097\n",
"min_node_degree : 1.0909090909090908\n",
"max_node_degree : 2.769230769230769\n",
"ave_fill_factor : 0.04263668408405519\n",
"min_fill_factor : 0.009522961908152367\n",
"max_fill_factor : 0.1875\n",
"node_label_num : 38\n",
"edge_label_num : 0\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"AIDS:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : True\n",
"is_directed : False\n",
"dataset_size : 2000\n",
"ave_node_num : 15.6925\n",
"min_node_num : 2\n",
"max_node_num : 95\n",
"ave_edge_num : 16.195\n",
"min_edge_num : 1\n",
"max_edge_num : 103\n",
"ave_node_degree : 2.012865369646626\n",
"min_node_degree : 0.6\n",
"max_node_degree : 2.8333333333333335\n",
"ave_fill_factor : 0.08679744688995196\n",
"min_fill_factor : 0.011412742382271468\n",
"max_fill_factor : 0.25\n",
"node_label_num : 38\n",
"edge_label_num : 3\n",
"node_attr_dim : 4\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"Mutagenicity:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : True\n",
"is_directed : False\n",
"dataset_size : 4337\n",
"ave_node_num : 30.317731150564907\n",
"min_node_num : 4\n",
"max_node_num : 417\n",
"ave_edge_num : 30.76942587041734\n",
"min_edge_num : 3\n",
"max_edge_num : 112\n",
"ave_node_degree : 2.0379886162441148\n",
"min_node_degree : 0.47961630695443647\n",
"max_node_degree : 2.3703703703703702\n",
"ave_fill_factor : 0.0431047931997047\n",
"min_fill_factor : 0.0005750795047415305\n",
"max_fill_factor : 0.1875\n",
"node_label_num : 14\n",
"edge_label_num : 3\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"FIRSTMM_DB:\n",
"substructures : {'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 41\n",
"ave_node_num : 1377.2682926829268\n",
"min_node_num : 134\n",
"max_node_num : 5037\n",
"ave_edge_num : 3074.0975609756097\n",
"min_edge_num : 320\n",
"max_edge_num : 10888\n",
"ave_node_degree : 4.503061007447199\n",
"min_node_degree : 4.191919191919192\n",
"max_node_degree : 4.776119402985074\n",
"ave_fill_factor : 0.003689884678097613\n",
"min_fill_factor : 0.00042914515176536197\n",
"max_fill_factor : 0.017821341055914458\n",
"node_label_num : 5\n",
"edge_label_num : 0\n",
"node_attr_dim : 1\n",
"edge_attr_dim : 2\n",
"class_number : 11\n",
"\n",
"\n",
"MSRC9:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 221\n",
"ave_node_num : 40.57918552036199\n",
"min_node_num : 25\n",
"max_node_num : 55\n",
"ave_edge_num : 97.9366515837104\n",
"min_edge_num : 53\n",
"max_edge_num : 145\n",
"ave_node_degree : 4.8153400199203436\n",
"min_node_degree : 4.176470588235294\n",
"max_node_degree : 5.576923076923077\n",
"ave_fill_factor : 0.06021937645679636\n",
"min_fill_factor : 0.04521181915272339\n",
"max_fill_factor : 0.0848\n",
"node_label_num : 10\n",
"edge_label_num : 0\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 8\n",
"\n",
"\n",
"MSRC21:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 563\n",
"ave_node_num : 77.52042628774423\n",
"min_node_num : 51\n",
"max_node_num : 141\n",
"ave_edge_num : 198.32326820603907\n",
"min_edge_num : 121\n",
"max_edge_num : 405\n",
"ave_node_degree : 5.102391320310953\n",
"min_node_degree : 4.04\n",
"max_node_degree : 6.6\n",
"ave_fill_factor : 0.03357132864022473\n",
"min_fill_factor : 0.01873405612244898\n",
"max_fill_factor : 0.04652056901191849\n",
"node_label_num : 22\n",
"edge_label_num : 0\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 20\n",
"\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\n",
"SYNTHETIC:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 300\n",
"ave_node_num : 100.0\n",
"min_node_num : 100\n",
"max_node_num : 100\n",
"ave_edge_num : 196.0\n",
"min_edge_num : 196\n",
"max_edge_num : 196\n",
"ave_node_degree : 3.9200000000000017\n",
"min_node_degree : 3.92\n",
"max_node_degree : 3.92\n",
"ave_fill_factor : 0.019600000000000003\n",
"min_fill_factor : 0.0196\n",
"max_fill_factor : 0.0196\n",
"node_label_num : 8\n",
"edge_label_num : 0\n",
"node_attr_dim : 1\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"BZR:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 405\n",
"ave_node_num : 35.75061728395062\n",
"min_node_num : 13\n",
"max_node_num : 57\n",
"ave_edge_num : 38.358024691358025\n",
"min_edge_num : 13\n",
"max_edge_num : 60\n",
"ave_node_degree : 2.1466610247664697\n",
"min_node_degree : 2.0\n",
"max_node_degree : 2.2777777777777777\n",
"ave_fill_factor : 0.0314385616191916\n",
"min_fill_factor : 0.017851646660510926\n",
"max_fill_factor : 0.07692307692307693\n",
"node_label_num : 10\n",
"edge_label_num : 0\n",
"node_attr_dim : 3\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"COX2:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 467\n",
"ave_node_num : 41.224839400428266\n",
"min_node_num : 32\n",
"max_node_num : 56\n",
"ave_edge_num : 43.44539614561028\n",
"min_edge_num : 34\n",
"max_edge_num : 59\n",
"ave_node_degree : 2.1077350079995685\n",
"min_node_degree : 2.076923076923077\n",
"max_node_degree : 2.1739130434782608\n",
"ave_fill_factor : 0.025799177869507202\n",
"min_fill_factor : 0.01881377551020408\n",
"max_fill_factor : 0.033203125\n",
"node_label_num : 8\n",
"edge_label_num : 0\n",
"node_attr_dim : 3\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"DHFR:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 756\n",
"ave_node_num : 42.42724867724868\n",
"min_node_num : 20\n",
"max_node_num : 71\n",
"ave_edge_num : 44.544973544973544\n",
"min_edge_num : 21\n",
"max_edge_num : 73\n",
"ave_node_degree : 2.102359895640024\n",
"min_node_degree : 2.0338983050847457\n",
"max_node_degree : 2.2\n",
"ave_fill_factor : 0.026126638866896944\n",
"min_fill_factor : 0.0144812537195001\n",
"max_fill_factor : 0.0525\n",
"node_label_num : 9\n",
"edge_label_num : 0\n",
"node_attr_dim : 3\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"PROTEINS:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 1113\n",
"ave_node_num : 39.05750224618149\n",
"min_node_num : 4\n",
"max_node_num : 620\n",
"ave_edge_num : 72.8158131176999\n",
"min_edge_num : 5\n",
"max_edge_num : 1049\n",
"ave_node_degree : 3.734642171150555\n",
"min_node_degree : 1.7142857142857142\n",
"max_node_degree : 5.071428571428571\n",
"ave_fill_factor : 0.09599853508460923\n",
"min_fill_factor : 0.0027289281997918834\n",
"max_fill_factor : 0.375\n",
"node_label_num : 3\n",
"edge_label_num : 0\n",
"node_attr_dim : 1\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"\n",
"PROTEINS_full:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : False\n",
"is_directed : False\n",
"dataset_size : 1113\n",
"ave_node_num : 39.05750224618149\n",
"min_node_num : 4\n",
"max_node_num : 620\n",
"ave_edge_num : 72.8158131176999\n",
"min_edge_num : 5\n",
"max_edge_num : 1049\n",
"ave_node_degree : 3.734642171150555\n",
"min_node_degree : 1.7142857142857142\n",
"max_node_degree : 5.071428571428571\n",
"ave_fill_factor : 0.09599853508460923\n",
"min_fill_factor : 0.0027289281997918834\n",
"max_fill_factor : 0.375\n",
"node_label_num : 3\n",
"edge_label_num : 0\n",
"node_attr_dim : 29\n",
"edge_attr_dim : 0\n",
"class_number : 2\n",
"\n",
"load SDF: 100%|██████████| 4457424/4457424 [00:09<00:00, 489414.03it/s]\n",
"ajust data: 100%|██████████| 42687/42687 [00:09<00:00, 4562.13it/s] \n",
"\n",
"NCI-HIV:\n",
"substructures : {'linear', 'non linear'}\n",
"node_labeled : True\n",
"edge_labeled : True\n",
"is_directed : False\n",
"dataset_size : 42682\n",
"ave_node_num : 45.70945597675835\n",
"min_node_num : 2\n",
"max_node_num : 438\n",
"ave_edge_num : 47.7137903565906\n",
"min_edge_num : 1\n",
"max_edge_num : 441\n",
"ave_node_degree : 2.087755727203458\n",
"min_node_degree : 1.0\n",
"max_node_degree : 4.571428571428571\n",
"ave_fill_factor : 0.02739985514266206\n",
"min_fill_factor : 0.002298742728466879\n",
"max_fill_factor : 0.25\n",
"node_label_num : 63\n",
"edge_label_num : 3\n",
"node_attr_dim : 0\n",
"edge_attr_dim : 0\n",
"class_number : 3\n",
"\n"
]
}
],
"source": [
"import sys\n",
"sys.path.insert(0, \"../../\")\n",
"from gklearn.utils.graphfiles import loadDataset\n",
"from gklearn.utils.graphdataset import get_dataset_attributes\n",
"\n",
"dslist = [\n",
" {'name': 'Acyclic', 'dataset': '../../datasets/acyclic/dataset_bps.ds',},\n",
" {'name': 'Alkane', 'dataset': '../../datasets/Alkane/dataset.ds',\n",
" 'dataset_y': '../../datasets/Alkane/dataset_boiling_point_names.txt',},\n",
" {'name': 'MAO', 'dataset': '../../datasets/MAO/dataset.ds',},\n",
" {'name': 'PAH', 'dataset': '../../datasets/PAH/dataset.ds',},\n",
" {'name': 'MUTAG', 'dataset': '../../datasets/MUTAG/MUTAG_A.txt'},\n",
" {'name': 'Letter-med', 'dataset': '../../datasets/Letter-med/Letter-med_A.txt'},\n",
" {'name': 'ENZYMES', 'dataset': '../../datasets/ENZYMES_txt/ENZYMES_A_sparse.txt'},\n",
" {'name': 'D&D', 'dataset': '../../datasets/DD/DD_A.txt'},\n",
" {'name': 'NCI1', 'dataset': '../../datasets/NCI1/NCI1_A.txt'},\n",
" {'name': 'NCI109', 'dataset': '../../datasets/NCI109/NCI109_A.txt'},\n",
" {'name': 'AIDS', 'dataset': '../../datasets/AIDS/AIDS_A.txt'},\n",
" \n",
" {'name': 'Mutagenicity', 'dataset': '../../datasets/Mutagenicity/Mutagenicity_A.txt'},\n",
" {'name': 'FIRSTMM_DB', 'dataset': '../../datasets/FIRSTMM_DB/FIRSTMM_DB_A.txt'},\n",
" {'name': 'MSRC9', 'dataset': '../../datasets/MSRC_9_txt/MSRC_9_A.txt'},\n",
" {'name': 'MSRC21', 'dataset': '../../datasets/MSRC_21_txt/MSRC_21_A.txt'},\n",
" {'name': 'SYNTHETIC', 'dataset': '../../datasets/SYNTHETIC_txt/SYNTHETIC_A_sparse.txt'},\n",
" {'name': 'BZR', 'dataset': '../../datasets/BZR_txt/BZR_A_sparse.txt'},\n",
" {'name': 'COX2', 'dataset': '../../datasets/COX2_txt/COX2_A_sparse.txt'},\n",
" {'name': 'DHFR', 'dataset': '../../datasets/DHFR_txt/DHFR_A_sparse.txt'}, \n",
" {'name': 'PROTEINS', 'dataset': '../../datasets/PROTEINS_txt/PROTEINS_A_sparse.txt'},\n",
" {'name': 'PROTEINS_full', 'dataset': '../../datasets/PROTEINS_full_txt/PROTEINS_full_A_sparse.txt'}, \n",
" {'name': 'NCI-HIV', 'dataset': '../../datasets/NCI-HIV/AIDO99SD.sdf',\n",
" 'dataset_y': '../../datasets/NCI-HIV/aids_conc_may04.txt',},\n",
"\n",
"# # not working below\n",
"# {'name': 'PTC_FM', 'dataset': '../../datasets/PTC/Train/FM.ds',},\n",
"# {'name': 'PTC_FR', 'dataset': '../../datasets/PTC/Train/FR.ds',},\n",
"# {'name': 'PTC_MM', 'dataset': '../../datasets/PTC/Train/MM.ds',},\n",
"# {'name': 'PTC_MR', 'dataset': '../../datasets/PTC/Train/MR.ds',},\n",
"]\n",
"\n",
"for ds in dslist:\n",
" dataset, y = loadDataset(\n",
" ds['dataset'],\n",
" filename_y=(ds['dataset_y'] if 'dataset_y' in ds else None),\n",
" extra_params=(ds['extra_params'] if 'extra_params' in ds else None))\n",
" attrs = get_dataset_attributes(\n",
" dataset, target=y, node_label='atom', edge_label='bond_type')\n",
" print()\n",
" print(ds['name'] + ':')\n",
" for atr in attrs:\n",
" print(atr, ':', attrs[atr])\n",
" print()"
]
}
],
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