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.
The latest documentation can be found at http://radicalensemblemd.readthedocs.org/en/latest/.
- https://groups.google.com/d/forum/ensemblemd-users
- https://groups.google.com/d/forum/ensemblemd-devel
- We maintain a wiki, mostly for internal planning and technical documents at https://github.com/radical-cybertools/radical.ensemblemd/wiki
[](http://ci.radical-project.org/job/Ensemble MD/)
- Vivek Balasubramanian
- Ioannis Paraskevakos
- Mark Santcroos
- Antons Treikalis
- Ole Weidner
- Nikhil Shenoy