Linear Algebra project from TripleTen

Freeware notebook interface for Wolfram Language written in Javascript

Lightweight, general, scalable C++ library for finite element methods

PyTensor allows you to define, optimize, and efficiently evaluate mathematical expressions involving multi-dimensional arrays.

The official repository for the AiiDA code

SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.

UQ Group (Director: Hadi Meidani)

Tools for simplifying daily work with the AiiDA workflow engine

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Thesis for the Computational Science Master's program at Central Washington University. 3D extension of an analog of cosmological particle creation in a Friedmann-Robertson-Walker universe by numerically simulating a Bose-Einstein condensate with a time-dependent scattering length.

A distributed and GPU-based implementation of the Parareal algorithm for parallel-in-time integration of equations of motion.

🐢 Interface for Running NetLogo Simulations from R

Software Development and Artificial intelligence

Scripts to prepare and analyze molecular dynamics simulations

Homepage of Dr Stephen P. Moss, Computational Scientist

High-performance finite element toolbox in Julia

Crack Analysis Tool in Python (CrackPy) - automatic detection and fracture mechanical analysis of (fatigue) cracks using digital image correlation

Lightweight OpenGL tool for accurate and flexible finite element visualization