Due to the considerable number of possible conditions under which DockM8 can be run, the user needs to be able to determine which choices are most appropriate for the target under study. One of the ways to achieve this is to generate decoy molecules that closely resemble the physicochemical properties of known active compounds for that particular target. If the screening software can discern the actives from the decoys effectively, the chances of being able to discern potentially active compounds from a real docking library are increased. When decoy generation is activated and a list of known active compounds is supplied, DockM8 will make use of the DeepCoy library to generate a user-specified number of decoys. Subsequently, the user can choose which conditions (docking, pose selection, and rescoring functions) are to be explored. This allows the user to limit the search space of conditions if desired. DockM8 will then run the workflow using every possible combination of the supplied conditions to determine which one is best able to distinguish active compounds from decoy molecules. The optimum conditions will then be automatically used for the screening of the library of interest.