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1. atomistic-machine-learning/schnetpack-gschnet atomistic-machine-learning/schnetpack-gschnet Public

   G-SchNet extension for SchNetPack

   Python 52 7

2. atomistic-machine-learning/schnetpack atomistic-machine-learning/schnetpack Public

   SchNetPack - Deep Neural Networks for Atomistic Systems

   Python 816 222

3. atomistic-machine-learning/cG-SchNet atomistic-machine-learning/cG-SchNet Public

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

   Python 55 15

4. atomistic-machine-learning/G-SchNet atomistic-machine-learning/G-SchNet Public

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

   Python 132 23