Open Free Energy

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Published November 28, 2025 | Version v0.3.0
Software Open

Pontibus: Experimental OpenFE Protocols for Force Field Development

Authors/Creators

Description

Major Changes

  • Update of pontibus for use with openfe & gufe v1.7+.
  • Includes new validation routines for the ASFEProtocol.

What's Changed

  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/OpenFreeEnergy/pontibus/pull/160
  • Update for latest openfe & gufe v1.7.x by @IAlibay in https://github.com/OpenFreeEnergy/pontibus/pull/163
  • remove duplicate line by @IAlibay in https://github.com/OpenFreeEnergy/pontibus/pull/165
  • re-enable docs & update API docs by @IAlibay in https://github.com/OpenFreeEnergy/pontibus/pull/166
  • Prerelease v0.3.0 by @IAlibay in https://github.com/OpenFreeEnergy/pontibus/pull/167

Full Changelog: https://github.com/OpenFreeEnergy/pontibus/compare/v0.2.0...v0.3.0

Notes

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

Files

OpenFreeEnergy/pontibus-v0.3.0.zip

Files (1.1 MB)

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md5:4c945284eb30b039bf36c6917e278e3d
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Additional details

Related works

Is supplement to
Software: https://github.com/OpenFreeEnergy/pontibus/tree/v0.3.0 (URL)

Software

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