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>