The ESPResSo package
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Updated
May 27, 2024 - C++
The ESPResSo package
LAMMPS inputs and data files
A lattice Boltzmann code for complex fluids
The Morpho language 🦋. Morpho is a small embeddable language for scientific computing applications.
Publication quality path tracing in real time.
Pychastic is a stochastic differential equations integrator written entirely in python.
Computational statistical mechanics of field-responsive polymer chains
Code developed for a research project at the University of British Columbia focusing on a simple model of active particles, supervised by Jörg Rottler.
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
Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.
2D simulation of confluent cell collectives based on a coarse-grained bead-spring model
Wiki of 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 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…
Iterative training to explore glassy landscapes
Code developed for a research project at Umeå universitet focusing on sheared packings of ellipsoids, supervised by Peter Olsson.
Create a consistent, documented pipline and folder structure for self-consistent MD charge optimization.
Neural functional theory for inhomogeneous fluids - Tutorial
Neural functional theory for inhomogeneous fluids: Fundamentals and applications
A deep learning approach for particle detection from super-resolution microscopy.
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