radical.ensemblemd

The Ensemble MD Toolkit is a Python library for developing and executing large- scale ensemble-based Molecular Dynamics (MD) simulations and workflows. It is being developed by the RADICAL Research Group at Rutgers University. Ensemble MD Toolkit is released under the MIT License.

Documentation

The latest documentation can be found at http://radicalensemblemd.readthedocs.org/en/latest/.

Mailing Lists

• https://groups.google.com/d/forum/ensemblemd-users
• https://groups.google.com/d/forum/ensemblemd-devel

Developer Wiki

• We maintain a wiki, mostly for internal planning and technical documents at https://github.com/radical-cybertools/radical.ensemblemd/wiki

Build Status

[](http://ci.radical-project.org/job/Ensemble MD/)

Contributors

• Vivek Balasubramanian
• Ioannis Paraskevakos
• Mark Santcroos
• Antons Treikalis
• Ole Weidner
• Nikhil Shenoy