Published April 18, 2023
| Version 0.22.1
Software
Open
choderalab/openmmtools: 0.22.1
Authors/Creators
- John Chodera1
- Andrea Rizzi2
- Levi Naden3
- Kyle Beauchamp
- Patrick Grinaway4
- Josh Fass5
- Alex Wade
- Iván Pulido1
- Mike Henry6
- Gregory A. Ross7
- Andreas Krämer
- Hannah Bruce Macdonald8
- jaimergp
- Bas Rustenburg9
- David W.H. Swenson
- Ivy Zhang
- Andy Simmonett10
- Mark J. Williamson11
- hb0402
- Jake Fennick12
- Sander Roet13
- SimonBoothroyd
- Ana Silveira
- Dominic Rufa
- 1. Memorial Sloan Kettering Cancer Center
- 2. @choderalab
- 3. @MolSSI at Virginia Tech
- 4. Onai
- 5. Relay Therapeutics
- 6. @choderalab & @OpenFreeEnergy
- 7. @isomorphiclabs
- 8. Chodera Lab // MSKCC
- 9. Software for Chemistry & Materials
- 10. QC Ware
- 11. @vernalis
- 12. Axle Research and Technologies
- 13. Utrecht University
Description
What's Changed
- Fix NaN-catching text in MultiStateSampler by @dwhswenson in https://github.com/choderalab/openmmtools/pull/684
- Release 0.22.1 by @mikemhenry in https://github.com/choderalab/openmmtools/pull/685
Full Changelog: https://github.com/choderalab/openmmtools/compare/0.22.0...0.22.1
Files
choderalab/openmmtools-0.22.1.zip
Files
(12.3 MB)
| Name | Size | Download all |
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md5:cbfa2b01ddc22e9db724b49598403ccf
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12.3 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/choderalab/openmmtools/tree/0.22.1 (URL)