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

• Forcefield development notes and ideas wiki page
• Notes from Vertex meeting
• Small molecule forcefield working group

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]>