ForceBalance : An open-source software package written in Python for force field parameter optimization, developed by Lee-Ping Wang with contributions from collaborators at Stanford, MIT and elsewhere.  

OpenMM : An open-source library for high performance molecular mechanics simulations, developed by the Pande lab at Stanford.  Runs on CPUs or GPUs.

TeraChem : A commercial quantum chemistry program that runs on GPUs, developed by the Martinez lab at Stanford.  Runs on GPUs.

MSMBuilder : An open-source software package written in Python for construction of statistical models for analysis of biomolecular dynamics, developed by the Pande lab at Stanford.

ECP-ACE : Automatic Code Engine for generating and optimizing quantum chemistry integral codes on GPUs with an example application to effective core potentials, developed by Chenchen Song at Stanford. (Coming soon)

MDTraj : An open-source Python package for rapid analysis and manipulation of molecular dynamics simulation trajectories, developed by Robert McGibbon at Stanford.


Speed and accuracy benchmark for AMOEBA force field in OpenMM

Data repository for TIP3P-FB and TIP4P-FB water model parameterization

Data repository for iAMOEBA water model parameterization and validation