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ZENODO
Software . 2022
Data sources: Datacite
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ZENODO
Software . 2022
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Protein-Ligand Benchmark Dataset for Free Energy Calculations

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 31 May 2022Publisher:Zenodo
Authors: Hahn, David F.; Wagner, Jeffrey R.;

doi: 10.5281/zenodo.6600875 , 10.5281/zenodo.4813734

Protein-Ligand Benchmark Dataset for Free Energy Calculations

Abstract

This release adds the pde10 target and associated ligands switches unit handling from pint to openff-units addition of CITATION.cff documentation and repository CI improvements 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.

If you use this software, please cite both the article from preferred-citation and the software itself.

  • BIP!
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    citations
    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).
    		 1
    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.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
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visibility
citations
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
1
Average
Average
Average
13