A variety of metrics were considered when analyzing the performance of the DockM8 workflow on the three data sets, containing labeled actives and decoys (see Section 3.1). A custom implementation of the enrichment factor (EF) was implemented while for the Boltzmann-Enhanced Discrimination of ROC (BEDROC) , the rdkit.Scoring module was used. For the Area under the Receiver Operating Characteristic Curve (AUC-ROC) metric, the sklearn library was used. The equation used for the enrichment factor is shown in Equation , where x is a percentage threshold, H x is the number of hits above that threshold, N x is the number of compounds at that threshold, H 100 is the total number of hits and N 100 is the total number of compounds: