dargason/ADMET-CYP-cofolding

OpenADMET CYP PDB cofolding structures v1 This is a coordinate-complete, one-row-per-structure release for the current UniProt PDB cross-references of human CYP1A2, CYP2C9, CYP2D6, and CYP3A4. It contains 16,739 rows: 149 aligned experimental ground truths and 16,590 valid aligned cofolded structures. Every coordinate file is gzip-compressed mmCIF and every row points to exactly one relative coordinate_path. All structures use the documented cyp3a4_1tqn_conserved_scaffold_ca_v1… See the full description on the dataset page: https://huggingface.co/datasets/dargason/ADMET-CYP-cofolding.

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