For CI, add PDB reading and FF application via OpenMM, ambertools (leap template) for all targets - Githubissues

openforcefield / protein-ligand-benchmark

Protein-Ligand Benchmark Dataset for Free Energy Calculations

MIT License

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For CI, add PDB reading and FF application via OpenMM, ambertools (leap template) for all targets #89

Open dotsdl opened 1 year ago