The Active Matter Evaluation Package (AMEP) - a Python library for the analysis of particle-based and continuum simulation data of soft and active matter systems

Pychastic is a stochastic differential equations integrator written entirely in python.

Neural functional theory for inhomogeneous fluids: Fundamentals and applications

Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.

Python GUI for the quick processing, analysis and plotting of differential dynamic microscopy data

Iterative training to explore glassy landscapes

All Python package to compute small angle X-ray scattering (SAXS) profiles in one-bead-per-residue approximation with numpy

Python code that can be used to analyze molecular dynamics simulations of proteins/polymers solvated in water. The first and second hydration shells are calculated, the molecular volume, the partial molar volume, and the number of waters associated with each side chain are calculated. This is specifically for PNIPAM but can be modified fairly ea…

Create a consistent, documented pipline and folder structure for self-consistent MD charge optimization.

Code developed for a research project at the University of British Columbia focusing on a simple model of active particles, supervised by Jörg Rottler.