crystallography topic
gemmi
macromolecular crystallography library and utilities
awesome-materials-informatics
Curated list of known efforts in materials informatics = modern materials science
ASL
Advanced Simulation Library - hardware accelerated multiphysics simulation platform.
mtex
MTEX is a free Matlab toolbox for quantitative texture analysis. Homepage:
cctbx_project
Computational Crystallography Toolbox
PyXtal
A code to generate atomic structure with symmetry
orix
Analysing crystal orientations and symmetry in Python
robocrystallographer
Automatic generation of crystal structure descriptions.
dials
Diffraction Integration for Advanced Light Sources
SciAlgs.jl
Fundamental scientific algorithms in Julia