12 dependents
Package Description Downloads/month
Atomistic Line Graph Neural Networks https://atomgptlab.github.io/alignn/ https... 11K
EXcellent PRoperty Extractor and Serializer. 4K
Explore State-of-the-Art Materials Design Methods: https://www.nature.com/articl... 2K
agapi 987
Our version of the NIST-JARVIS ALIGNN optimized in terms of model performance an... 454
https://atomgpt.org 355
neural force field learning toolkit 340
Materials structure and properties retrival from various databases. 319
diffractgpt 100
Evaluation of universal machine learning force-fields https://doi.org/10.1021/ac... 79
CrystalGen: Generative atomistic materials design toolkit 69
ifea 68