Experiments with expanded ensemble simulation to explore chemical and mutational space.

• perses/ - Package containing code for performing expanded ensemble simulations
• examples/ - Contains examples for various systems and methods of simulation
• attic/ - some old code that may be useful as part of the new setup
• devtools/ - Continuous integration and packaging utilities

• Patrick B. Grinaway
• Julie M. Behr
• John D. Chodera