openforcefield / protein-ligand-benchmark

Protein-Ligand Benchmark Dataset for Free Energy Calculations
MIT License
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Missing ligands in .yaml files for HIF2A and MCL1 #111

Open rgorantla04 opened 1 month ago

rgorantla04 commented 1 month ago

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).