MurrellLab/pockets

Provisional — do not use This dataset is provisional and should not be used by anyone at this point. Licensing for one of the source datasets remains unresolved. No dataset license is assigned by this repository. Included source-license notes are provenance, not a grant of rights to the combined collection. This is the final canonical heavy-atom collection and the exact packed runtime cache used by FSBFPocket. Preparation/training/sampling code and definitions are in… See the full description on the dataset page: https://huggingface.co/datasets/MurrellLab/pockets.

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