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#!/usr/bin/env python3 |
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# -*- coding: utf-8 -*- |
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""" |
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Created on Wed Oct 17 16:07:38 2018 |
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@author: ljia |
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""" |
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import sys |
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sys.path.insert(0, "../../") |
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from gklearn.utils.graphfiles import loadDataset |
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from gklearn.utils.graphdataset import get_dataset_attributes |
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dslist = [ |
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{'name': 'Acyclic', 'dataset': '../../datasets/acyclic/dataset_bps.ds',}, |
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{'name': 'Alkane', 'dataset': '../../datasets/Alkane/dataset.ds', |
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'dataset_y': '../../datasets/Alkane/dataset_boiling_point_names.txt',}, |
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{'name': 'MAO', 'dataset': '../../datasets/MAO/dataset.ds',}, |
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{'name': 'PAH', 'dataset': '../../datasets/PAH/dataset.ds',}, |
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{'name': 'MUTAG', 'dataset': '../../datasets/MUTAG/MUTAG.mat', |
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'extra_params': {'am_sp_al_nl_el': [0, 0, 3, 1, 2]}}, |
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{'name': 'Letter-med', 'dataset': '../../datasets/Letter-med/Letter-med_A.txt'}, |
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{'name': 'ENZYMES', 'dataset': '../../datasets/ENZYMES_txt/ENZYMES_A_sparse.txt'}, |
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{'name': 'Mutagenicity', 'dataset': '../../datasets/Mutagenicity/Mutagenicity_A.txt'}, |
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{'name': 'D&D', 'dataset': '../../datasets/D&D/DD.mat', |
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'extra_params': {'am_sp_al_nl_el': [0, 1, 2, 1, -1]}}, |
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{'name': 'AIDS', 'dataset': '../../datasets/AIDS/AIDS_A.txt'}, |
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{'name': 'FIRSTMM_DB', 'dataset': '../../datasets/FIRSTMM_DB/FIRSTMM_DB_A.txt'}, |
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{'name': 'MSRC9', 'dataset': '../../datasets/MSRC_9_txt/MSRC_9_A.txt'}, |
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{'name': 'MSRC21', 'dataset': '../../datasets/MSRC_21_txt/MSRC_21_A.txt'}, |
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{'name': 'SYNTHETIC', 'dataset': '../../datasets/SYNTHETIC_txt/SYNTHETIC_A_sparse.txt'}, |
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{'name': 'BZR', 'dataset': '../../datasets/BZR_txt/BZR_A_sparse.txt'}, |
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{'name': 'COX2', 'dataset': '../../datasets/COX2_txt/COX2_A_sparse.txt'}, |
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{'name': 'DHFR', 'dataset': '../../datasets/DHFR_txt/DHFR_A_sparse.txt'}, |
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{'name': 'PROTEINS', 'dataset': '../../datasets/PROTEINS_txt/PROTEINS_A_sparse.txt'}, |
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{'name': 'PROTEINS_full', 'dataset': '../../datasets/PROTEINS_full_txt/PROTEINS_full_A_sparse.txt'}, |
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{'name': 'NCI1', 'dataset': '../../datasets/NCI1/NCI1.mat', |
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'extra_params': {'am_sp_al_nl_el': [1, 1, 2, 0, -1]}}, |
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{'name': 'NCI109', 'dataset': '../../datasets/NCI109/NCI109.mat', |
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'extra_params': {'am_sp_al_nl_el': [1, 1, 2, 0, -1]}}, |
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{'name': 'NCI-HIV', 'dataset': '../../datasets/NCI-HIV/AIDO99SD.sdf', |
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'dataset_y': '../../datasets/NCI-HIV/aids_conc_may04.txt',}, |
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# # not working below |
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# {'name': 'PTC_FM', 'dataset': '../../datasets/PTC/Train/FM.ds',}, |
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# {'name': 'PTC_FR', 'dataset': '../../datasets/PTC/Train/FR.ds',}, |
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# {'name': 'PTC_MM', 'dataset': '../../datasets/PTC/Train/MM.ds',}, |
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# {'name': 'PTC_MR', 'dataset': '../../datasets/PTC/Train/MR.ds',}, |
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] |
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for ds in dslist: |
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dataset, y = loadDataset( |
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ds['dataset'], |
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filename_y=(ds['dataset_y'] if 'dataset_y' in ds else None), |
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extra_params=(ds['extra_params'] if 'extra_params' in ds else None)) |
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attrs = get_dataset_attributes( |
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dataset, target=y, node_label='atom', edge_label='bond_type') |
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print() |
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print(ds['name'] + ':') |
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for atr in attrs: |
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print(atr, ':', attrs[atr]) |
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print() |