dargason/structure184-five-method-cofolding

Structure184 five-method PXR cofolding dataset This repository contains 92,000 PXR–ligand cofolded models: 184 ligands 20 seed positions 5 samples per seed Boltz2, Chai-1, ESMFold2, OpenFold3, and Protenix 18,400 models per method Models use the governed prepared top solution-state ligand representation. Coordinates are harmonized to the 1NRL PXR frame using a 162-Cα core. The original generated coordinates are preserved up to that rigid alignment. Repository… See the full description on the dataset page: https://huggingface.co/datasets/dargason/structure184-five-method-cofolding.