ULaMDyn

ULaMDyn is a python package designed to provide a set of methods for the preprocessing, statistical, and unsupervised learning analysis of molecular data sets generated from nonadiabatic dynamics simulations. The program makes use of popular data analysis and machine learning libraries (accessible through the PyPI repository), as well as domain-specific libraries.

More Information

For more information visit the ULaMDyn website.

Available Versions

These versions of ULaMDyn are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.