LiteFold/PDB-CCD

PDB Chemical Component Dictionary PDB-CCD is the Chemical Component Dictionary used by the Protein Data Bank to describe residues, modified residues, ligands, solvents, and other chemical components in macromolecular structures. Splits The split is deterministic by component identifier: sha256(component_id) % 10. Bucket 0 is test; buckets 1 through 9 are train. Split Rows train 45,045 test 5,009 total 50,054 Dataset Statistics… See the full description on the dataset page: https://huggingface.co/datasets/LiteFold/PDB-CCD.