github OpenFreeEnergy/openfe v1.6.1

13 hours ago

Changelog for humans

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

All PRs included in this release:

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

Full Changelog: v1.6.0...v1.6.1

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