Published June 10, 2025
| Version 0.25.0
Software
Open
choderalab/openmmtools: 0.25.0 - Remove restriction on online_analysis_interval and checkpoint_interval
Authors/Creators
- John Chodera1
- Andrea Rizzi2
- Levi Naden3
- Kyle Beauchamp
- Patrick Grinaway4
- Mike Henry5
- Iván Pulido1
- Josh Fass
- Alex Wade
- Gregory A. Ross6
- Andreas Kraemer
- Hannah Bruce Macdonald7
- jaimergp8
- Bas Rustenburg9
- Dominic Rufa
- Ivy Zhang
- David W.H. Swenson10
- Andy Simmonett11
- Mark J. Williamson12
- hb0402
- Jake Fennick13
- Sander Roet14
- Ian Kenney
- Irfan Alibay15
- Benjamin Ries
- Ethan Holz10
- Hannah Baumann
- Richard Gowers
- SimonBoothroyd
- 1. Memorial Sloan Kettering Cancer Center
- 2. Forschungszentrum Juelich / Italian Institute of Technology
- 3. @MolSSI at Virginia Tech
- 4. Onai
- 5. @choderalab & @OpenFreeEnergy
- 6. @isomorphiclabs
- 7. Chodera Lab // MSKCC
- 8. @quansight
- 9. Software for Chemistry & Materials
- 10. Open Molecular Software Foundation
- 11. QC Ware
- 12. @vernalis
- 13. Anduril Industries
- 14. Utrecht University
- 15. The Open Molecular Software Foundation
Description
What's new?
These release allows online_analysis_interval and checkpoint_interval to be set to different intervals.
Release notes for humans here.
What's Changed
- Remove restriction on online_analysis_interval and checkpoint_interval by @ianmkenney in https://github.com/choderalab/openmmtools/pull/779
- Release 0.25.0 by @mikemhenry in https://github.com/choderalab/openmmtools/pull/782
- Release 0.25.0 (again) by @mikemhenry in https://github.com/choderalab/openmmtools/pull/783
Full Changelog: https://github.com/choderalab/openmmtools/compare/0.24.2...0.25.0
Files
choderalab/openmmtools-0.25.0.zip
Files
(12.3 MB)
| Name | Size | Download all |
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md5:0b616c5a3123411733ef5d38600c4867
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12.3 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/choderalab/openmmtools/tree/0.25.0 (URL)
Software
- Repository URL
- https://github.com/choderalab/openmmtools