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Software . 2023
License: http://opensource.org/licenses/MIT
Data sources: ZENODO
ZENODO
Software . 2023
License: https://opensource.org/licenses/MIT
Data sources: Datacite
ZENODO
Software . 2023
License: https://opensource.org/licenses/MIT
Data sources: Datacite
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OpenFreeEnergy/Lomap: v3.0.0 - Added gufe bindings

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 02 Nov 2023Publisher:Zenodo
Authors: Richard Gowers; Mark Mackey; Toni Mey; Alyssa Travitz; Irfan Alibay; shuail; Mike Henry; +8 Authors
Code repository: https://github.com/OpenFreeEnergy/Lomap/tree/v3.0.0

doi: 10.5281/zenodo.16898431 , 10.5281/zenodo.16898565

OpenFreeEnergy/Lomap: v3.0.0 - Added gufe bindings

Abstract

Highlights The API for GraphGen has been reworked from accepting a DBMol object to instead accepting multiple parameters If you are programmatically using Lomap you might need to pin to the 2.x series of releases. Adds bindings for gufe API components. Allows interoperable use of Lomap in other free energy tooling. What's Changed Add gufe Bindings to Lomap package by @richardjgowers in https://github.com/OpenFreeEnergy/Lomap/pull/29 Improve CI by @mikemhenry in https://github.com/OpenFreeEnergy/Lomap/pull/30 Update CI.yaml by @richardjgowers in https://github.com/OpenFreeEnergy/Lomap/pull/31 Enforce single fragment from MCS by @richardjgowers in https://github.com/OpenFreeEnergy/Lomap/pull/33 Switch to OFE theme and remove redundant CSS by @Yoshanuikabundi in https://github.com/OpenFreeEnergy/Lomap/pull/34 add duecredit by @richardjgowers in https://github.com/OpenFreeEnergy/Lomap/pull/36 New Contributors @Yoshanuikabundi made their first contribution in https://github.com/OpenFreeEnergy/Lomap/pull/34 Full Changelog: https://github.com/OpenFreeEnergy/Lomap/compare/v2.3.0...v3.0.0

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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!
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