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openforcefield/openff-evaluator: 0.5.3

Authors: Matt Thompson; Owen Madin; Jeff Wagner; Lily Wang; SimonBoothroyd; Josh A. Mitchell; Jeffry Setiadi; +8 Authors

openforcefield/openff-evaluator: 0.5.3

Abstract

What's Changed Bump aws-actions/configure-aws-credentials from 5 to 6 by @dependabot[bot] in https://github.com/openforcefield/openff-evaluator/pull/725 Use SetupTools 81 in CI by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/731 Remove smirnoff99frosst by @lilyminium in https://github.com/openforcefield/openff-evaluator/pull/730 Add selectnumrepresentations filter by @lilyminium in https://github.com/openforcefield/openff-evaluator/pull/724 Avoid xmltodict 1.0.3 by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/736 Forbid ASH residue name by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/739 Allow for empty topology labels for inapplicable keys by @lilyminium in https://github.com/openforcefield/openff-evaluator/pull/734 Add runtime limit to AWS instances by @j-wags in https://github.com/openforcefield/openff-evaluator/pull/741 allow valence and nagl parameters by @lilyminium in https://github.com/openforcefield/openff-evaluator/pull/733 Extend ParameterGradientKey to accommodate virtual sites by @lilyminium in https://github.com/openforcefield/openff-evaluator/pull/742 Remove Pint constraint in test environment by @mattwthompson in https://github.com/openforcefield/openff-evaluator/pull/746 Full Changelog: https://github.com/openforcefield/openff-evaluator/compare/v0.5.2...v0.5.3

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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).
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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