photonmz/pdbbindpp-2020

PDBbind 2020 Refined Set Curated collection of 5,316 high-quality protein-ligand complexes with experimentally measured binding affinity data from PDBbind v.2020 refined set. Structure 5,316 directories named by PDB ID Each contains: protein.pdb, pocket.pdb, ligand.mol2, ligand.sdf Total size: ~2.7 GB Citation Liu, Z.H. et al. Acc. Chem. Res. 2017, 50, 302-309.