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ZENODO
Software
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gufe

integration_instructionsResearch softwarekeyboard_double_arrow_right Software Under curationPublisher:Zenodo
Authors: Gowers, Richard J.; Alibay, Irfan; Dotson, David L.; Swenson, David W.H.; Henry, Michael M.; Ries, Benjamin; Mitchell, Ashley; +8 Authors

doi: 10.5281/zenodo.19685533

Abstract

Changelog for humans This release introduces support for compressed PDB and PDBx/mmCIF loading, see the full changelog for details: https://gufe.openfree.energy/en/latest/CHANGELOG.html#v1-10-0 All PRs included in this release: What's Changed Update .readthedocs.yaml by @mikemhenry in https://github.com/OpenFreeEnergy/gufe/pull/772 add ruff formatting to docstrings by @mikemhenry in https://github.com/OpenFreeEnergy/gufe/pull/773 Run pyupgrade --py311-plus since python 3.11 is the min by @mikemhenry in https://github.com/OpenFreeEnergy/gufe/pull/771 [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/OpenFreeEnergy/gufe/pull/778 Parse zipped pdbs by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/777 Add news entry for PR 777 by @mikemhenry in https://github.com/OpenFreeEnergy/gufe/pull/784 Rename Ashley Mitchell in CITATION.cff by @Yoshanuikabundi in https://github.com/OpenFreeEnergy/gufe/pull/785 removed unused docs deps from env yaml by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/787 bump micromamba github action version by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/779 release prep for v1.10.0 by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/786 Full Changelog: https://github.com/OpenFreeEnergy/gufe/compare/v1.9.0...v1.10.0

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