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Claim

gufe

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 24 Apr 2025Publisher:Zenodo
Authors: Gowers, Richard J.; Alibay, Irfan; Dotson, David L.; Swenson, David W.H.; Henry, Michael M.; Ries, Benjamin; Mitchell, Joshua A.; +8 Authors
Code repository: https://github.com/OpenFreeEnergy/gufe/tree/v1.6.0

doi: 10.5281/zenodo.8296913 , 10.5281/zenodo.16378515 , 10.5281/zenodo.15319301 , 10.5281/zenodo.19685533 , 10.5281/zenodo.20499399 , 10.5281/zenodo.17402138 , 10.5281/zenodo.17253992 , 10.5281/zenodo.17254099 , 10.5281/zenodo.19238180 , 10.5281/zenodo.17237572 , 10.5281/zenodo.20818880 , 10.5281/zenodo.15319296 , 10.5281/zenodo.15685603 , 10.5281/zenodo.17537141 , 10.5281/zenodo.15276872 , 10.5281/zenodo.18566966 , 10.5281/zenodo.18925700 , 10.5281/zenodo.15319230

Abstract

Changelog for humans https://docs.openfree.energy/en/latest/CHANGELOG.html#v1-12-0 All PRs included in this release: move to src layout by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/792 Add metadata attribute to TransformationBase, Transformation, and NonTransformation by @ianmkenney in https://github.com/OpenFreeEnergy/gufe/pull/789 Support Python 3.14 by @mikemhenry in https://github.com/OpenFreeEnergy/gufe/pull/796 Support flyweight behavior with pickle by @mikemhenry in https://github.com/OpenFreeEnergy/gufe/pull/797 transformations - use parent class init by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/798 turn off api break check (for now) by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/800 update deprecation warnings by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/793 Release/v1.12.0 by @atravitz in https://github.com/OpenFreeEnergy/gufe/pull/801 Full Changelog: https://github.com/OpenFreeEnergy/gufe/compare/v1.11.0...v1.12.0

If you use this software, please cite it as below.

  • 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).
    		 1
    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.
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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!
1
Average
Average
Average