Therapeutics Data Commons

[rbharath]

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]

Should we consider to expand this benchmark by more methods and/or datasets for moleculenet V2.0?

[rbharath]

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