Pychastic is a stochastic differential equations integrator written entirely in python.
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Updated
Oct 3, 2023 - Python
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…
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
Iterative training to explore glassy landscapes
Neural functional theory for inhomogeneous fluids: Fundamentals and applications
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.
Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.
All Python package to compute small angle X-ray scattering (SAXS) profiles in one-bead-per-residue approximation with numpy
Create a consistent, documented pipline and folder structure for self-consistent MD charge optimization.
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