The PDBbind project provides three primary datasets of protein-ligand complexes hierarchically constructed according to various structural and data quality criteria: general set, refined set, and core set. The general set consists of the dataset initially collected. However, using the general set to build machine learning models is not advisable due to the lack of data quality filters, which may lead to problems related to structure and binding affinity. For example, it may include complexes with covalently bound ligands (typically not of pharmaceutical interest or requiring special handling) and complexes with steric clashes .