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Published January 28, 2026 | Version v0.5.2
Software Open

openforcefield/openff-evaluator: 0.5.2

Authors/Creators

  • 1. Open Molecular Software Foundation
  • 2. University of Colorado, Boulder
  • 3. @openforcefield @omsf
  • 4. @OpenForceField, @MDAnalysis
  • 5. @openforcefield
  • 6. North Carolina State University
  • 7. @omsf
  • 8. @quansight
  • 9. Datryllic LLC
  • 10. @OpenFreeEnergy
  • 11. Bytedance Inc.

Description

What's Changed

  • Update some deprecated calls by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/657
  • Bump Python versions used in CI by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/673
  • Use Pydantic v2 at runtime by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/584
  • Add option to finish calculating even if conditions not met by @lilyminium in https://github.com/openforcefield/openff-evaluator/pull/676
  • Fix filtering schema validators by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/685
  • Prototype hash function by @lilyminium in https://github.com/openforcefield/openff-evaluator/pull/682
  • Update project configuration by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/703
  • No Pydantic 2.12 by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/706
  • Test on Python 3.13 by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/678
  • Update installation docs, remove some propertyestimator references by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/712
  • Fix GPU tests by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/720
  • Prep v0.5.2 release by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/719

Full Changelog: https://github.com/openforcefield/openff-evaluator/compare/v0.5.1...v0.5.2

Files

openforcefield/openff-evaluator-v0.5.2.zip

Files (17.6 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/openforcefield/openff-evaluator/tree/v0.5.2 (URL)

Software

Repository URL
https://github.com/openforcefield/openff-evaluator