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.