Among the cases tested which are clusters of flexible monomers, for all but two cases, LEDE-CREST finds a better conformer (lower total energy, larger binding energy) than any other method, or is tied for the best result. In one case, CREST is best, in one other case, BOTH-NCI is best, and in three cases, CREST, BOTH-NCI, or V4 tie with LEDE-CREST for best. For those those cases where the clusters were composed of rigid or nearly rigid monomers, we were surprised to find that LEDE-CREST still produced the lowest energy, and CREST produced the worst, in six out of seven cases. However, for most of these cases, the energy difference between best and worst was less than 1 kJ/mol. In fact, in the cases of complexes 17-18 and 19-20, the difference was less than 0.1 kJ/mol. This indicates that in Table : Testing of LEDE-CREST and CREST Protocols: Binding Energies in kJ/mol. Note that binding energy is defined such that positive values refer to bound systems. For single molecules, the "binding energy" instead refers to the improvement in energy relative to the worst-performing method for that molecule. Green cells indicate the best energy found, and red cells the worst. On five rows, some methods were nearly-tied for the worst method, with differences in energy less than 0.1 kJ/mol. In these cases, the numbers reported in this table are identical, but the color coding indicates the very small differences. The seven methods can also be compared by the number of conformers produced. This comparison is not rigorous when comparing methods that did not find the same lowest-energy conformer, as the density of conformers, when sorted by energy, generally decreases as one gets closer in energy to the global minimum. However, if the energy of the lowest-energy conformer from one method is equal to or lower than that from a second method, and the first method produces a higher number of conformers than the second, then the first method can be considered to give a better coverage of the conformers of the After taking symmetry into account, we computed the rmsd between the geometries we report here and those in the S30-L dataset.