xX-its-amit-Xx/cyp-cofold-poses

CYP co-folded poses — OpenADMET blind challenge, structure track Protein–HEME–ligand poses for cytochrome P450s, with crystal ground truth where it exists, released so other teams do not have to re-fold what we already folded. Produced for the OpenADMET CYP blind challenge structure-prediction track. We are affiliated with the BU AI & ML team (buaiml/openadmet-cyp) — supporting their T5 structure-generation task while running our own track. Not members of their roster; this… See the full description on the dataset page: https://huggingface.co/datasets/xX-its-amit-Xx/cyp-cofold-poses.

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