PyRank

Computational Materials Python Packages

Python packages with the GitHub topic computational-materials. Sorted by monthly downloads, with stars and forks.
jcwang587
cgcnn2

Reproduction of CGCNN for predicting material properties

650 29 2
tilde-lab
pycrystal

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

627 11 1
mechanoChem
mechanochemml

mechanoChemML library

218 17 11