TemCompanion: a tool to view, edit, filter, and convert TEM image files to tiff, png, and jpg.

18.337 - Parallel Computing and Scientific Machine Learning

Code for estimating temperature from spectral data using a first-principles model.

Python repository for TGS processing scripts by Akarsh Aurora

scripts to load all data from ICSD, Materials Project, and OQMD

Proteus is a MOOSE Multiphysics app named after the ancient Greek sea-god for its versatile, mutable nature. It is designed for developing Fusion Digital Twins.

A collection of files that can be used as inputs in the codes commonly used in the Plasma Physics community.

Pyzotero: a Python client for the Zotero API

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

Calculates approximate properties of alloy compositions

Open Calphad, thermodynamic calculation code

ENRICO: Exascale Nuclear Reactor Investigative COde

continuous energy monte carlo neutron transport in general geometries on GPUs

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

High-Fidelity Multiphysics

Yonggang's 3D Monte Carlo radiation damage code

Repository for Moltres, a code for simulating Molten Salt Reactors

Aurora is A Unified Resource for OpenMC (fusion) Reactor Applications.

Multiresolution Adaptive Numerical Environment for Scientific Simulation

Python package built to ease deep learning on graph, on top of existing DL frameworks.

Spatially dependent cluster dynamics simulator

Graph deep learning library for materials

EI_MS_ML is a collection of tools for the prediction of chemical properties from electron ionization mass spectra.

BCDI: tools for pre(post)-processing Bragg coherent X-ray diffraction imaging data

😎 Curated list of awesome software for numerical analysis and scientific computing

Netgen/NGSolve is a high performance multiphysics finite element software. It is widely used to analyze models from solid mechanics, fluid dynamics and electromagnetics. Due to its flexible Python…

libMesh github repository

LAPACK development repository

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

Chemical kinetics, thermodynamics, and transport tool suite