The Open Free Energy library

Published October 2, 2025 | Version v1.6.1

Software Open

Changelog for humans

https://docs.openfree.energy/en/stable/CHANGELOG.html#v1-6-1

update partial charge tests now that a production NAGL model is available in https://github.com/OpenFreeEnergy/openfe/pull/1506
debug slow python 3.13 tests in https://github.com/OpenFreeEnergy/openfe/pull/1468
update quickrun execution docs and add MPS link in https://github.com/OpenFreeEnergy/openfe/pull/1483
add jq cookbook in https://github.com/OpenFreeEnergy/openfe/pull/1488
debug docs build in https://github.com/OpenFreeEnergy/openfe/pull/1489
add pip example for jq in https://github.com/OpenFreeEnergy/openfe/pull/1505
debug rtd build memory error in https://github.com/OpenFreeEnergy/openfe/pull/1510
temp pin numpy in https://github.com/OpenFreeEnergy/openfe/pull/1542
Removing unnecessary limit on resids in https://github.com/OpenFreeEnergy/openfe/pull/1539
update docs theme in https://github.com/OpenFreeEnergy/openfe/pull/1545

Full Changelog: https://github.com/OpenFreeEnergy/openfe/compare/v1.6.0...v1.6.1

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

Name	Size	Download all
OpenFreeEnergy/openfe-v1.6.1.zip md5:71d37e53b0b01d7b086a9cb8d2f6c48d	10.4 MB	Preview Download

Is supplement to: Software: https://github.com/OpenFreeEnergy/openfe/tree/v1.6.1 (URL)