A project for discussing and aggregating data, tools, ideas, and discussions for open force field development.
nmr/- NMR dataqm/- QM data and toolsdensity/- density data for binary mixturesideas/- various ideas explored (e.g. atom type sampling, Bayesian parameterization)
- Forcefield development notes and ideas wiki page
- Notes from Vertex meeting
- Small molecule forcefield working group
- 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]>