maomlab/TDC

Therapeutics Data Commons Therapeutics Data Commons(TDC) provides a publicly available collection of 22 machine learning tasks for therapeutic discovery. Our Hugging Face repository is a mirror of single-instance prediction tasks of TDC, encompassing a total of 7,949,637 data points. For quantum mechanical (QM) datasets, molecular structures were processed into atom-level representations containing atomic identities and three-dimensional coordinates. These atom-level records… See the full description on the dataset page: https://huggingface.co/datasets/maomlab/TDC.

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