To evaluate the diversity of the 65 template structures, we compared the clusters using a structural similarity score as described in reference , where perfectly similar structures have a score of 0.0, and we consider structures with a score above 0.3 to be dissimilar. Across the 5 different sizes and 13 different elements, only five pairs have a similarity score less than 0.3, indicating that the remaining pairs of structures are structurally distinct.