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OpenFreeEnergy / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Change handling of alchemical molecules away from "alchemical_small_molecules" #76

Open IAlibay opened 1 month ago

IAlibay commented 1 month ago

Since we want to handle alchemical proteins, we should expect that there are no alchemical small molecules.