Published March 21, 2024
| Version 4.0.3
Software
Open
choderalab/pymbar: 4.0.3 Support for Python 3.12 and Jax 0.3.25+
Creators
- 1. University of Colorado Boulder
- 2. @MolSSI at Virginia Tech
- 3. Memorial Sloan Kettering Cancer Center
- 4. New York University
- 5. @rahko-ai
- 6. @choderalab & @OpenFreeEnergy
- 7. Open Molecular Software Foundation
- 8. Relay Therapeutics
- 9. D.E. Shaw Research
- 10. @NVIDIA @rapidsai
- 11. Boise State University
- 12. Datryllic LLC
Description
Updates the builds to work against Python 3.8 through and including Python 3.12. Also fixes some upstream JAX and CI dependency issues.
What's Changed
- Fixed example bug and updated output. by @mrshirts in https://github.com/choderalab/pymbar/pull/513
- Update to Python 3.12 by @Lnaden in https://github.com/choderalab/pymbar/pull/526
Full Changelog: https://github.com/choderalab/pymbar/compare/4.0.2...4.0.3
Files
choderalab/pymbar-4.0.3.zip
Files
(17.4 MB)
Name | Size | Download all |
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md5:3dd05d32818ea262c297d51bf3f05ae5
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17.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/choderalab/pymbar/tree/4.0.3 (URL)