CataAI/PoseX

PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking Paper | GitHub | Leaderboard PoseX is a comprehensive benchmark dataset designed to evaluate molecular docking algorithms for predicting protein-ligand binding poses. It includes curated datasets for both self-docking and cross-docking scenarios. The file posex_set.zip contains the processed dataset for docking evaluation, while posex_cif.zip contains the raw CIF files from RCSB PDB. For information about… See the full description on the dataset page: https://huggingface.co/datasets/CataAI/PoseX.