Resources
Web resources
Alchemistry.org, a resource for free energy simulations
Folding@Home, the preeminent biomolecular distributed computing project
Gromacs, a GPL molecular simulation software package
pymbar, a Python module for multistate reweighting, implementing the multistat Bennett Acceptance Ratio
pymbar-datasets, examples and tutorials using pymbar
checkensemble, a Python module for validating simulations in different thermodynamic ensembles