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→ atomistic-machine-learning
4 open source projects by atomistic-machine-learning
[ Open user page on Github ]
1.
Schnet
SchNet - a deep learning architecture for quantum chemistry
✭ 95
python
2.
Schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
✭ 296
python
machine-learning
neural-network
molecular-dynamics
quantum-chemistry
3.
G-SchNet
G-SchNet - a generative model for 3d molecular structures
✭ 69
python
4.
dtnn
Deep Tensor Neural Network
✭ 75
python
machine-learning
quantum-chemistry
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4
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