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Published July 23, 2025 | Version v1.6.0

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

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Files

OpenFreeEnergy/openfe-v1.6.0.zip

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