Issues

• Rename NMA to NME

  OpenFreeEnergy/IndustryBenchmarks2024#322 · Filter by author IAlibay opened on Aug 20, 2025

• prepared SDF doesn't contain r_exp_dg

  OpenFreeEnergy/IndustryBenchmarks2024#320 · Filter by author xiki-tempula opened on Aug 13, 2025
  4

• irak4 PDBs contain PTMs (TPO and SEP)

  OpenFreeEnergy/IndustryBenchmarks2024#319 · Filter by author IAlibay opened on Jul 23, 2025
  4

  

• Some system caps do not adhere to convention

  OpenFreeEnergy/IndustryBenchmarks2024#318 · Filter by author IAlibay opened on Jul 23, 2025
  

• Provide AMBER prmtop/inpcrd files for protein topology

  OpenFreeEnergy/IndustryBenchmarks2024#314 · Filter by author xiki-tempula opened on Jun 24, 2025
  13

• Investigate large ligand RMSD eg5 set

  OpenFreeEnergy/IndustryBenchmarks2024#284 · Filter by author hannahbaumann opened on Mar 13, 2025