gufe

Published March 9, 2026 | Version v1.9.0-alpha

Software Open

What's Changed

Add empty validate method for Component by @hannahbaumann in https://github.com/OpenFreeEnergy/gufe/pull/732
Membrane support by @hannahbaumann in https://github.com/OpenFreeEnergy/gufe/pull/635
Bump conda-cron CI Python versions by @IAlibay in https://github.com/OpenFreeEnergy/gufe/pull/737
bump python version min to 3.11 by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/730
Docs: remove empty how-to stubs by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/715
Update ExplicitMoleculeComponent warning to provide molecule name by @jaclark5 in https://github.com/OpenFreeEnergy/gufe/pull/720
component how-to guide by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/667
Remove imports into gufe namespace that are unnecessary by @mikemhenry in https://github.com/OpenFreeEnergy/gufe/pull/742
Speed up tests SolvatedPDBComponent by @hannahbaumann in https://github.com/OpenFreeEnergy/gufe/pull/751
add docstrings and clarify fixture names by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/752
Release/1.7.1 into main by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/754

@jaclark5 made their first contribution in https://github.com/OpenFreeEnergy/gufe/pull/720

Full Changelog: https://github.com/OpenFreeEnergy/gufe/compare/v1.8.0...v1.9.0-alpha

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

Name	Size	Download all
OpenFreeEnergy/gufe-v1.9.0-alpha.zip md5:375b840bc9748c0fb68d05e43e166eb2	2.1 MB	Preview Download

Is supplement to: Software: https://github.com/OpenFreeEnergy/gufe/tree/v1.9.0-alpha (URL)