To evaluate the performance of our scoring functions, we constructed a test set by combining the structures in the PDBbind 2007, 2013, and 2016 Core Sets, which correspond to the test sets used in the Comparative Assessment of Scoring Functions (CASF) 2009, 2013, and 2016, respectively. Combining these three PDBbind Core Sets, and removing 30 structures for which features could not be computed due to RDKit version 2019.09.1 23 failing to sanitise the ligand, resulted in a test set of 525 protein-ligand complexes, which we refer to as the "PDBbind Test Set". Previously, we found that using this combined test set of unique protein-ligand complexes in place of the smaller Core Sets resulted in a better (i.e. narrower) confidence interval for the performance metric.