Structure prediction of protein-ligand complexes from sequence information with Umol

posebusters_benchmark_set.tar.zst - files for the prediction (features to Umol) and scoring of the pose busters benchmark posebusters_pred_native.tar.zst - pdb and sdf files of proteins and ligands. Includes native structures, predicted structures and relaxed predicted structures with plDDT in the B factor column. posebusters_scores.csv - contains ligand RMSD and other metrics for the unrelaxed structures predicted with Umol. PDBBind_processed.tar.zst - files for the training (features to Umol) using PDBbind version 2020