JuDFTteam / best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
JuDFTteam / best-of-atomistic-machine-learning
atomistic-machine-learning / schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
hackingmaterials / matminer
Data mining for materials science
ZhuochengLu / WannierNLQG
WannierNLQG is a Julia package for nonlinear responses and quantum-geometric quantities from Wannier tight-binding models.