Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2026
License: http://opensource.org/licenses/MIT
Data sources: ZENODO
ZENODO
Software . 2026
License: https://opensource.org/licenses/MIT
Data sources: Datacite
Claim

choderalab/openmmtools: 0.26.0 System Minimization Improvements

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 07 Jan 2026Publisher:Zenodo
Authors: John Chodera; Andrea Rizzi; Levi Naden; Kyle Beauchamp; Mike Henry; Patrick Grinaway; Iván Pulido; +22 Authors

doi: 10.5281/zenodo.18177237

choderalab/openmmtools: 0.26.0 System Minimization Improvements

Abstract

0.26.0 System Minimization Improvements This release removes the barostat force during system minimization and fixes various warnings. There are no API breaks in this release. Fix AST deprecation warning & support pyyaml when built without C extensions PR #800 Remove the barostat force from the system during minimization PR #798. Minimization is now explicitly performed without any barostats; before these changes it only worked for the MonteCarloBarostat. More details :point_down: What's Changed Remove the barostat force from the system during minimization by @hannahbaumann in https://github.com/choderalab/openmmtools/pull/798 fix deprecation is ast module by @mikemhenry in https://github.com/choderalab/openmmtools/pull/800 release 0.26.0 by @mikemhenry in https://github.com/choderalab/openmmtools/pull/802 Full Changelog: https://github.com/choderalab/openmmtools/compare/0.25.3...0.26.0

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 0
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Related to Research communities
Netherlands Research Portal