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MobleyLab/blues: Version 0.1.0

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 28 Mar 2017Publisher:Zenodo
Authors: Nathan Lim; sgill2; David L. Mobley;
Code repository: https://github.com/MobleyLab/blues/tree/0.1.0

doi: 10.5281/zenodo.837900 , 10.5281/zenodo.438714 , 10.5281/zenodo.1028925 , 10.5281/zenodo.569065 , 10.5281/zenodo.569074

MobleyLab/blues: Version 0.1.0

Abstract

This release: Adds refactored move proposal scheme Allows for mixing of move types using CombinationMove Allows for choosing between a set of moves with different probabilities Adds SmartDartMove` move class, which performs Smart Darting moves Adds Monte Carlo Functionality Switches alchemical VV integrator with an alchemical Langevin splitting integrator Longrange Dispersion corrections for the alchemical integrator is turned off This greatly increases alchemical integration speeds (see https://github.com/choderalab/openmmtools/pull/218)

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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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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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