Published June 16, 2025 | Version 0.5.0
Software Open

OpenFreeEnergy/cinnabar: v0.5.0

Creators

  • 1. Chodera Lab // MSKCC
  • 2. @choderalab & @OpenFreeEnergy
  • 3. The Open Molecular Software Foundation
  • 4. Memorial Sloan Kettering Cancer Center
  • 5. @openforcefield
  • 6. Datryllic LLC

Description

Changelog for humans

https://cinnabar.openfree.energy/en/latest/changelog.html#v5-0-0

What's Changed

  • Adds FEMap To/from networkx by @richardjgowers in https://github.com/OpenFreeEnergy/cinnabar/pull/112
  • adds Add operator to FEMap by @richardjgowers in https://github.com/OpenFreeEnergy/cinnabar/pull/114
  • Add cycle edge by @hannahbaumann in https://github.com/OpenFreeEnergy/cinnabar/pull/113
  • some work on API docs by @richardjgowers in https://github.com/OpenFreeEnergy/cinnabar/pull/119
  • Bump cinnabar CI workflow by @IAlibay in https://github.com/OpenFreeEnergy/cinnabar/pull/127
  • fix mambaforge CI error by @atravitz in https://github.com/OpenFreeEnergy/cinnabar/pull/128
  • trying to fix docs build by @atravitz in https://github.com/OpenFreeEnergy/cinnabar/pull/129
  • Vendor openff-models by @mikemhenry in https://github.com/OpenFreeEnergy/cinnabar/pull/131
  • remove openff-models from env by @atravitz in https://github.com/OpenFreeEnergy/cinnabar/pull/134
  • 0.5.0 release prep by @atravitz in https://github.com/OpenFreeEnergy/cinnabar/pull/135

New Contributors

  • @atravitz made their first contribution in https://github.com/OpenFreeEnergy/cinnabar/pull/128

Full Changelog: https://github.com/OpenFreeEnergy/cinnabar/compare/0.4.1...0.5.0

Files

OpenFreeEnergy/cinnabar-0.5.0.zip

Files (1.9 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/OpenFreeEnergy/cinnabar/tree/0.5.0 (URL)

Software

Repository URL
https://github.com/OpenFreeEnergy/cinnabar