crystal-structure topic

Curated list of known efforts in materials informatics = modern materials science

tilde-lab

Monte Carlo and Molecular Dynamics Simulation Package

khavernathy

Automatic generation of crystal structure descriptions.

hackingmaterials

Browser plugin-free CIF visualization: comparison of the open-source engines

blokhin

Data structures, algorithms, and parsing for crystallography

LaurentRDC

Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats

tilde-lab

Materials informatics framework for ab initio data repositories

tilde-lab

Official public repository for the XtalOpt crystallographic multi-objective evolutionary algorithm

xtalopt

PyQt based GUI tool which allows to visualize, design and export the lattice graph models.

luchko

A code for generating irreducible site-occupancy configurations

jichunlian