Lists (2)
Stars
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.
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.
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…
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Chemical kinetics, thermodynamics, and transport tool suite
A flyweight in situ visualization and analysis runtime for multi-physics HPC simulations
A Python package for performing pore network modeling of porous media
FiPy is a Finite Volume PDE solver written in Python