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For discussing and aggregating data for force field development

GPL-2.0 license

0 stars 8 forks Branches Tags Activity

Name		Name	Last commit message	Last commit date
Latest commit History 117 Commits
NIST-ThermoML		NIST-ThermoML
data/2EVN		data/2EVN
densities		densities
forcebalance		forcebalance
ideas		ideas
nmr		nmr
qm/crank		qm/crank
reweighting_optimization		reweighting_optimization
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md

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Open Forcefield Group

A project for discussing and aggregating data, tools, ideas, and discussions for open force field development.

Manifest

nmr/ - NMR data
qm/ - QM data and tools
density/ - density data for binary mixtures
ideas/ - various ideas explored (e.g. atom type sampling, Bayesian parameterization)

Aggregated notes and ideas

Current participants

John D. Chodera, MSKCC <[email protected]>
Kyle A. Beauchamp, MSKCC <[email protected]>
Vijay S. Pande, Stanford <[email protected]>
Lee-Ping Wang, Stanford <[email protected]>
Christopher Bayly, OpenEye <[email protected]>
Jean-Francois Truchon, Vertex <[email protected]>
Dan MacKay, Novartis <[email protected]>
David Mobley, UCI <[email protected]>
Brittany Zimmerman, U. Virginia <[email protected]>
Levi Naden, U. Virginia <[email protected]>
Michael Shirts, U. Virginia <[email protected]>