LAMMPS inputs and data files

The ESPResSo package

DeepTrack2 is a modular Python library for generating, manipulating, and analyzing image data pipelines for machine learning and experimental imaging.

The Morpho language 🦋. Morpho is a small embeddable language for scientific computing applications.

Publication quality path tracing in real time.

A lattice Boltzmann code for complex fluids

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

Neural functional theory for inhomogeneous fluids - Tutorial

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

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…

Active learning to explore glassy landscapes

Data and scripts from recent publications

Neural functional theory for inhomogeneous fluids: Fundamentals and applications

A deep learning approach for particle detection from super-resolution microscopy.

Computational statistical mechanics of field-responsive polymer chains

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

🍕 Toolkit for multiscale modeling with LAMMPS in Python 3.x. It integrates with LAMMPS-GUI and leverages Large Language Models for rapid prototyping.

Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.

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

OpenCL GPU accelerated implementation of the deformable particle model in 2D and 3D