gufe

Published April 21, 2026 | Version v1.10.0

Software Open

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

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

If you use this software, please cite it as below.

Name	Size	Download all
OpenFreeEnergy/gufe-v1.10.0.zip md5:e41b1e8d49f97bc3c0a2b7aa4f3f8cd7	2.1 MB	Preview Download

Is supplement to: Software: https://github.com/OpenFreeEnergy/gufe/tree/v1.10.0 (URL)