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Software . 2019
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openforcefield/smirnoff99Frosst: Version 1.1.0

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 25 Jul 2019Publisher:Zenodo
Authors: Mobley, David L.; Bannan, Caitlin; Wagner, Jeff; Rizzi, Andrea; Lim, Nathan M.; Henry, Mike;

doi: 10.5281/zenodo.3351714 , 10.5281/zenodo.596535

openforcefield/smirnoff99Frosst: Version 1.1.0

Abstract

Adds hydrogen bond constraints. Updates contents to SMIRNOFF 0.3 spec (spec change performed by OFF toolkit 0.4.0 reading smirnoff99Frosst-1.0.9, and then writing the ForceField object out in the 0.3 spec). Fixes several issues with FF hierarchy, SMIRKS patterns. This fixes some issues with coverage of certain areas of chemical space, and parameters which could never be utilized due to hierarchy issues. Full details available in openforcefield/openforcefield Issue 367.

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selected citations
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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).
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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).
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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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