OpenFreeEnergy

OpenFreeEnergy/gufe

core data models of the Open Free Energy ecosystem

44 stars 13 forks 44 watchers Python MIT License
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2 Open Issues Need Help Last updated: Aug 6, 2026

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Add `ProtocolDAGResult.total_time()` convenience method for getting total execution time 12 days ago
enhancement good first issue priority:medium
OpenFreeEnergy/gufe
44

core data models of the Open Free Energy ecosystem

Python
ChemicalSystem "isin" method to check if a Component belongs to a ChemicalSystem about 1 year ago
good first issue
OpenFreeEnergy/gufe
44

core data models of the Open Free Energy ecosystem

Python