deepchem / moleculenet

Moleculenet.ai Datasets And Splits
MIT License
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Two Submissions on HOPV #24

Closed mufeili closed 3 years ago

mufeili commented 3 years ago

@rbharath This PR is for two submissions (random forest + ECFP & GCN + GC) on HOPV. I guess we do not need to filter it with rd_filters. Also what will be the category for HOPV? It doesn't seem to belong to previous dataset categories in MoleculeNet V1.