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Software . 2025
License: http://opensource.org/licenses/MIT
Data sources: ZENODO
ZENODO
Software . 2025
License: https://opensource.org/licenses/MIT
Data sources: Datacite
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openforcefield/openff-toolkit: 0.18.0 Runtime improvements for large molecules

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 04 Nov 2025Publisher:Zenodo
Authors: Jeff Wagner; Matt Thompson; David L. Mobley; John Chodera; Caitlin Bannan; Andrea Rizzi; trevorgokey; +21 Authors
Code repository: https://github.com/openforcefield/openff-toolkit/tree/0.18.0

doi: 10.5281/zenodo.17525527

openforcefield/openff-toolkit: 0.18.0 Runtime improvements for large molecules

Abstract

0.18.0 Runtime improvements for large molecules There is a small behavior change in this release where Molecule.are_isomorphic/is_isomorphic_with may return a different but equivalent atom mapping (permuting some chemically equivalent Hs attached to the same heavy atom). For the complete release notes, please see our documentation For help getting the OpenFF Toolkit running, see our installation instructions. Please report bugs, request features, or ask questions through our issue tracker. Please note that there may still be some changes to the API prior to a stable 1.0.0 release.

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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!
0
Average
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Average