LAMMPS inputs and data files

The ESPResSo package

DeepTrack 2 is a modular Python library for generating, manipulating, and analyzing image data pipelines for machine learning and experimental imaging.

Publication quality path tracing in real time.

A lattice Boltzmann code for complex fluids

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

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

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

Neural functional theory for inhomogeneous fluids: Fundamentals and applications

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…

Computational statistical mechanics of field-responsive polymer chains

Iterative training to explore glassy landscapes

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

Data and scripts from recent publications

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

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

Random And Maximal PACKing PACKage

Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.

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