Code to evaluate steric clashes

[gvisani]

Hi, could you provide code to evaluate steric clashes? There are some details missing from the paper appendix that prevent from rewriting it (namely, what are the predefined distance thresholds that consider an interaction to be a clash?).
Thanks in advance

[zytzrh]

Hi @gvisani, thanks for pointing this out. We're working on updating the evaluation code to include these specifics, and we expect to have this update ready within the next month.

In the meantime, as a temporary solution, I suggest looking at the evaluation script used by AttnPacker. The metrics we employed are largely based on their approach, and you may find the predefined distance thresholds for steric clash evaluations there.