graph-neural-networks-for-drug-discovery
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2021-04-25
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graph-neural-networks-for-drug-discovery-master.zip （27个子文件） 
graph-neural-networks-for-drug-discovery-master 
.gitignore 38B toydata 
piece-of-tox21-train-for-prediction.csv.gz 381B piece-of-tox21-train.csv.gz 1KB piece-of-tox21-test.csv.gz 2KB piece-of-esol.csv.gz 4KB piece-of-tox21-valid.csv.gz 2KB LICENCE 1KB example.py 2KB README.md 6KB train_logging.py 10KB tests __init__.py 0B gnn_test_case.py 6KB test_implementations.py 2KB test_example.py 407B predict.py 2KB gnn summation_mpnn.py 3KB aggregation_mpnn.py 4KB __init__.py 0B emn.py 4KB aggregation_mpnn_implementations.py 5KB emn_implementations.py 3KB summation_mpnn_implementations.py 4KB modules.py 5KB graph_features.py 5KB molgraph_data.py 4KB losses.py 580B train.py 9KB资源评论
