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@atomistic-machine-learning

atomistic-machine-learning

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schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

SchNet

SchNet - a deep learning architecture for quantum chemistry

G-SchNet

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

dtnn

Deep Tensor Neural Network

SchNOrb

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

cG-SchNet

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

schnetpack-gschnet

G-SchNet extension for SchNetPack

field_schnet

Rich Text Format