crystal-structure topic
awesome-materials-informatics
Curated list of known efforts in materials informatics = modern materials science
mcmd
Monte Carlo and Molecular Dynamics Simulation Package
robocrystallographer
Automatic generation of crystal structure descriptions.
cif-js-engines
Browser plugin-free CIF visualization: comparison of the open-source engines
crystals
Data structures, algorithms, and parsing for crystallography
cifplayer
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
tilde
Materials informatics framework for ab initio data repositories
XtalOpt
Official public repository for the XtalOpt crystallographic multi-objective evolutionary algorithm
latticegraph_designer
PyQt based GUI tool which allows to visualize, design and export the lattice graph models.
disorder
A code for generating irreducible site-occupancy configurations