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Therapeutics Data Commons #33

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rbharath opened this issue Feb 22, 2021 · 2 comments
Open

Therapeutics Data Commons #33

rbharath opened this issue Feb 22, 2021 · 2 comments

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@rbharath
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A really nice paper just came out that curates 66 therapeutically relevant datasets: https://arxiv.org/abs/2102.09548. They have documentation and an API up at https://tdcommons.ai/.
@yuanqidu
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Should we consider to expand this benchmark by more methods and/or datasets for moleculenet V2.0?

@rbharath
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rbharath commented Apr 6, 2021

Yes definitely! I believe tdc has a python API. Perhaps we could write a wrapper to expose tdc datasets as part of MoleculeNet?

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@rbharath @yuanqidu