Published January 25, 2023
| Version v0.4.2
Software
Open
openforcefield/openff-evaluator: 0.4.2
Creators
- 1. University of Colorado, Boulder
- 2. Open Molecular Software Foundation
- 3. @openforcefield
- 4. @OMaraLab
- 5. Datryllic LLC
- 6. @cole-group
- 7. Bytedance Inc.
Description
This release includes bugfixes, updates some automation, and deprecates Yank protocols.
See our installation instructions to get started and the change log for a summary of changes included in this release. Auto-generated release notes are included below.
Please note that this is a pre-alpha release and there will still be major changes to the API prior to a stable 1.0.0 release.
What's Changed- Do not call
setup.pyhttps://github.com/openforcefield/openff-evaluator/pull/477 - Use only major versions of actions https://github.com/openforcefield/openff-evaluator/pull/484
- Upstream gaff fix https://github.com/openforcefield/openff-evaluator/pull/489
- Improve pymbar compatibility https://github.com/openforcefield/openff-evaluator/pull/479
- Deprecate Yank protocols https://github.com/openforcefield/openff-evaluator/pull/490
- Add 0.4.2 release notes https://github.com/openforcefield/openff-evaluator/pull/491
Full Changelog: https://github.com/openforcefield/openff-evaluator/compare/v0.4.1...v0.4.2
Files
openforcefield/openff-evaluator-v0.4.2.zip
Files
(756.9 kB)
| Name | Size | Download all |
|---|---|---|
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md5:e3e70a21f823e31a692ba97c0db30cc8
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756.9 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/openforcefield/openff-evaluator/tree/v0.4.2 (URL)