The calculation time of the TABS algorithm scales linearly with the number of conformers. This is significantly better than RMSD-based clustering, which scales with the number of conformers squared. As an illustration, the timings for the calculation of the TABS labels for the conformational ensemble of cyclohexane with the tabs.GetMultipleConfs function takes 1-1.5 ms per conformer on a standard workstation. The exact timings are given in the Supporting Information S8.