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Curated list of known efforts in materials informatics, i.e. in modern materials science
awesome
ab-initio
chemistry
materials
awesome-list
data-science
phase-diagram
materials-data
phase-diagrams
crystallography
materials-design
materials-genome
crystal-structure
materials-science
materials-platform
atomistic-simulations
materials-discoveries
materials-informatics
computational-materials
computational-materials-engineering
Created
2018-02-15
139 commits to master branch, last one 6 months ago
The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereo...
Created
2019-12-20
947 commits to master branch, last one 3 days ago
Automatic generation of crystal structure descriptions.
Created
2018-10-11
792 commits to main branch, last one 2 days ago
Monte Carlo and Molecular Dynamics Simulation Package
Created
2017-02-25
1,194 commits to master branch, last one 8 months ago
A code for generating irreducible site-occupancy configurations
Created
2020-08-29
174 commits to main branch, last one about a year ago