• RMSD: heavy-atoms root mean square displacement (RMSD), used to cluster poses by their geometric similarity • spyRMSD : symmetry-corrected heavy-atoms RMSD, used to cluster poses by their geometric similarity • espsim : electrostatic shape similarity, used to cluster poses by similar interaction potential • USRCAT : shape similarity, used to cluster poses by similar 3D shape • 3DScore : the mean spyRMSD of each pose relative to all other poses is calculated and the pose with the lowest 3DScore is retained