openforcefield/protein-ligand-benchmark

Missing ligands in .yaml files for HIF2A and MCL1

rgorantla04 opened this issue · 0 comments

I observed that the number of ligands mentioned here doesn’t match with the ones I have extracted from yml files for HIF2A (37 in yml says 42) and MCL1 (25 says 42). It matches for other targets like SYK (matches with 44 mentioned).