There are 4 repositories under material-science topic.
A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
a general library for fatigue and reliability
DFT-FE: Real-space DFT calculations using Finite Elements
A physics computational framework for python and ipython
A simple and fast python library to handle the data generated from molecular dynamics simulations
Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy
Atomic crystal structures for Julia
Statistical models to predict new materials
The Materials Commons website
Lattice generator library and tool in rust.
Builds 2D heterostructures via coincidence lattice theory.
An information portal for 3D atomic electron tomography data
The backend algorithms and framework associated with DREAM3DNX, a data analysis program for materials science data analytics
Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors
RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.
An interactive web app for bioplastic material properties data. We plot material properties for bioplastics properly
A MATLAB-based program for processing and analysis of nanoSIMS data
python Low Energy Electron Analysis SuitE
This provides the files needed and detailed process (instructions) to install the wien2k 14.2 in Linux.
Tool to draw reaction energy diagrams, reaction energies and reaction energetics using Python and matplotlib
Microstructure Modeling and Simulation. Generate microstructures using site-saturation condition, and simulate grain growth using Monte Carlo Potts Model.
Numerical effective field theory approach to quantum materials.