Published July 23, 2025
| Version v1.6.0
Software
Open
The Open Free Energy library
Description
Changelog for humans
https://docs.openfree.energy/en/stable/CHANGELOG.html#v1.6.0
All PRs included in this release:
- relaxing pydantic pin by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1387
- min pin kartograf by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1393
- remove openmm exclusion from docs by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1407
- Restraints API by @IAlibay in https://github.com/OpenFreeEnergy/openfe/pull/1043
- Let mypy find unused ignores by @mattwthompson in https://github.com/OpenFreeEnergy/openfe/pull/1423
- pin micromamba version to latest by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1348
- bumping python versions to 3.11-13 by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1373
- fix conda cron CI build by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1432
- clean up single file installer ci by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1434
- CI: update mypy ci by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1433
- Fix up collinearity tests [Issue #1419] by @IAlibay in https://github.com/OpenFreeEnergy/openfe/pull/1436
- updating daily CI runners by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1435
- DSSP selection fixes (issue #1420) by @IAlibay in https://github.com/OpenFreeEnergy/openfe/pull/1438
- Fix protein chain selection (Issue #1421) by @IAlibay in https://github.com/OpenFreeEnergy/openfe/pull/1437
- Add slow markers on >60s restraint tests by @IAlibay in https://github.com/OpenFreeEnergy/openfe/pull/1441
- add news item for openmm 8.3 support by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1446
- release prep 1.6.0 by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1447
- add a blurb for the 1.6.0 changelog by @atravitz in https://github.com/OpenFreeEnergy/openfe/pull/1448
Full Changelog: https://github.com/OpenFreeEnergy/openfe/compare/v1.5.0...v1.6.0
Notes
Files
OpenFreeEnergy/openfe-v1.6.0.zip
Files
(10.4 MB)
| Name | Size | Download all |
|---|---|---|
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md5:3e5774e1db35df41b715463b31d0e405
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10.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/OpenFreeEnergy/openfe/tree/v1.6.0 (URL)
Software
- Repository URL
- https://github.com/OpenFreeEnergy/openfe