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

open-forcefield-group/openforcefield: Version 0.0.2

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 24 May 2017Publisher:Zenodo
Authors: David L. Mobley; Caitlin Bannan; John Chodera; Camila; cbayly13; Nathan Lim; Andrea Rizzi;

doi: 10.5281/zenodo.583162

open-forcefield-group/openforcefield: Version 0.0.2

Abstract

This version: Finishes migration of many tools from smarty to openforcefield Removes outdated examples and data Adds support for tip3p water and constraints, tests for the same; adds water monomers Extensively updates documentation Updates Jupyter notebooks Makes some fixes to chemical environments Fixes a bug where vdW parameters for mixtures consisting of multiple references molecules could get scrambled (and adds a test for this) Fixes a typo in descring the SMIRNOFF format (formerly SMIRFF) and finishes name change from SMIRFF to SMIRNOFF Adds an example of generating a mixed force field for a protein-ligand complex (AMBER protein force field, SMIRNOFF ligand)

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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!
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