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ZENODO
Software . 2021
Data sources: Datacite
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ZENODO
Software . 2021
Data sources: ZENODO
Claim

openforcefield/protein-ligand-benchmark: 0.2.0 Addition of new targets

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 12 Nov 2021Publisher:Zenodo
Authors: David F. Hahn; Jeff Wagner;

doi: 10.5281/zenodo.5679599

openforcefield/protein-ligand-benchmark: 0.2.0 Addition of new targets

Abstract

This release adds data for 7 targets: cdk8, eg5, hif2a, pfkfb3, shp2, syk, tnks2 of the Merck fep-benchmark dataset migration to new openforcefield namespace (now compatible with openff-toolkit 0.9.0 and higher) minor changes in metadata For details, please see our documentation 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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download
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!
views
OpenAIRE UsageCountsViews provided by UsageCounts
downloads
OpenAIRE UsageCountsDownloads provided by UsageCounts
1
Average
Average
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38
5