Open Source Projects
Below are open source projects that I actively maintain at GitHub. All molecular visualizations were done in Ovito.
ParallelSwapMC
A plug-in for HOOMD-Blue to perform the SWAP algorithm in parallel for particles with continuous polydispersity. Interaction through pair potentials & hard repulsion are supported. CPU Only. |
PolydisperseMD
A plug-in for HOOMD-Blue to implement pair potentials of particles with continuous polydispersity for molecular dynamics purposes. |
PyGlassTools
A Python module for performing data analysis of atomistic trajectories relevant for glasses and supercooled liquids. |
TPS-Torch
A Python module that interfaces PyTorch with rare-event path-based sampling techniques. |