schnetpack
Neural property predictor
A toolbox for training and applying deep neural networks to predict atomistic properties of molecules and materials
SchNetPack - Deep Neural Networks for Atomistic Systems
790 stars
32 watching
215 forks
Language: Python
last commit: 10 days ago
Linked from 1 awesome list
condensed-mattermachine-learningmolecular-dynamicsneural-networkquantum-chemistry
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