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Pull requests: OpenFreeEnergy/gufe
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Add explicit hydrogens kwarg to OpenFF export in SmallMoleculeComponent
#462
opened Jan 21, 2025 by
dotsdl
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2 tasks
Enforce protocol settings at instantiation
#461
opened Jan 16, 2025 by
ianmkenney
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1 of 2 tasks
Added deprecation warning to Transformation.dump/load; removed ExplicitMoleculeComponent.to_json/from_json
#460
opened Jan 16, 2025 by
dotsdl
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2 tasks
PathLike wrapper/cache for ExternalStorage
#186
opened Apr 26, 2023 by
dwhswenson
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5 of 7 tasks
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What’s not been updated in a month: updated:<2024-12-28.