OpenFreeEnergy

OpenFreeEnergy/gufe

core data models of the Open Free Energy ecosystem

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

Open Issues Need Help

View All on GitHub
Add `ProtocolDAGResult.total_time()` convenience method for getting total execution time about 1 month 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