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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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Update SetupUnit phase detection #72

Open IAlibay opened 5 days ago

IAlibay commented 5 days ago

Currently this requires hardcoded keys in the ChemicalSystem. We should update the code to work off checking instances of each Component class.