atomistic-machine-learning

SchNetPack - Deep Neural Networks for Atomistic Systems

atomistic-machine-learning

SchNet - a deep learning architecture for quantum chemistry

atomistic-machine-learning

Deep Tensor Neural Network

atomistic-machine-learning

cG-SchNet - a conditional generative neural network for 3d molecular structures

atomistic-machine-learning

G-SchNet - a generative model for 3d molecular structures

atomistic-machine-learning

Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

atomistic-machine-learning

G-SchNet extension for SchNetPack

atomistic-machine-learning