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Pull requests: OpenFreeEnergy/gufe

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Sort ligand network edges by SMC inchikey
#467 opened Jan 23, 2025 by jthorton Loading…
2 tasks
Enforce protocol settings at instantiation
#461 opened Jan 16, 2025 by ianmkenney Loading…
1 of 2 tasks
[pre-commit.ci] pre-commit autoupdate
#451 opened Jan 6, 2025 by pre-commit-ci bot Loading…
test openmm 8.2
#406 opened Nov 13, 2024 by mikemhenry Loading…
fixes issue #274
#282 opened Feb 1, 2024 by richardjgowers Loading…
[WIP] Use StorageManager in execute_DAG
#258 opened Dec 1, 2023 by dwhswenson Draft
3 of 4 tasks
PathLike wrapper/cache for ExternalStorage
#186 opened Apr 26, 2023 by dwhswenson Loading…
5 of 7 tasks
[WIP] Use PDBInf
#135 opened Feb 22, 2023 by richardjgowers Loading…
WIP: Protocol.validate API point
#134 opened Feb 22, 2023 by richardjgowers Loading…
ProTip! What’s not been updated in a month: updated:<2024-12-28.