genesisml/PocketWatch

PocketWatch A temporally held-out benchmark for ligand-binding-site prediction on predicted protein structures. Two tasks over the same pockets: score every residue, and localize each pocket as a point. Pockets are defined from Q-BioLiP/PDB contacts at 5.0 Å, clustered into sites across every entry that observes them, and projected onto a single predicted fold per protein: an ESMFold2 prediction of the canonical sequence. Splits are cut by date, not by random assignment: a site… See the full description on the dataset page: https://huggingface.co/datasets/genesisml/PocketWatch.

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