HiQBind Dataset

HiQBind, a protein-ligand binding dataset that contains 18,160 unique PDB entries with binding affinity annotations, 32,275 protein-ligand complexes structures refined by HiQBind-WF workflow.hiqbind.tar.gz: Protein-Ligand complexes structures in HiQBindhiqbind_metadata.csv: Metadata for HiQBind datasethiqbind_sm_metadata.csv: Metadata for subset of HiQBind in which ligands all small moleculeshiqbind_poly_metadata.csv: Metadata for subset of HiQBind in which ligands are polyemersREADME.md: Description of the structural dataset and columns in the metadata csv file<br>