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
<john.chodera@choderalab.org> - Kyle A. Beauchamp, MSKCC
<kyle.beauchamp@choderalab.org> - Vijay S. Pande, Stanford
<pande@stanford.edu> - Lee-Ping Wang, Stanford
<leeping@stanford.edu> - Christopher Bayly, OpenEye
<bayly@eyesopen.com> - Jean-Francois Truchon, Vertex
<Jean-Francois_Truchon@vrtx.com> - Dan MacKay, Novartis
<daniel.mckay@novartis.com> - David Mobley, UCI
<dmobley@uci.edu> - Brittany Zimmerman, U. Virginia
<brittanys.zimmerman@gmail.com> - Levi Naden, U. Virginia
<levinaden@gmail.com> - Michael Shirts, U. Virginia
<michael.shirts@virginia.edu>