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Software . 2017
Data sources: Datacite
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ZENODO
Software . 2017
Data sources: ZENODO
Claim

choderalab/yank: 0.16.2 Startup Speed and Reduced File Sizes

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 07 Jul 2017Publisher:Zenodo
Authors: John Chodera; Andrea Rizzi; Levi Naden; Kyle Beauchamp; Patrick Grinaway; Bas Rustenburg; Steven Albanese;
Code repository: https://github.com/choderalab/yank/tree/0.16.2

doi: 10.5281/zenodo.824317

choderalab/yank: 0.16.2 Startup Speed and Reduced File Sizes

Abstract

This release helps reduce the initial file sizes of your analysis files by compressing the objects to recreate the alchemical systems. This gives over 10x reduction in the initial file sizes, and saves minutes off the initial start up before simulations start. Automatic Expanded Cutoff Distance Selection Compressed stored systems drastically reduce initial file sizes Requires OpenMMTools 0.11.2, minimum version updated Use C Yaml Dumper and Loaders to speed up YAML object processing

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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.
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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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