PyRank

Computational Materials Python Packages

Python packages with the GitHub topic computational-materials. Sorted by relevance, with stars and monthly downloads.
jcwang-dev
cgcnn2

Reproduction of Crystal Graph Convolutional Neural Networks

831 27 2
tilde-lab
pycrystal

Utilities for ab initio modeling suite CRYSTAL

385 11 1
mechanoChem
mechanochemml

mechanoChemML library

338 17 11