atomistic-machine-learning
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SchNetPack - Deep Neural Networks for Atomistic Systems
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schnetpack
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SchNetPack - Deep Neural Networks for Atomistic Systems
atomistic-machine-learning/schnetpack’s past year of commit activity
atomistic-machine-learning/schnetpack-gschnet’s past year of commit activity
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49
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8
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Updated Nov 7, 2024
cG-SchNet
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cG-SchNet - a conditional generative neural network for 3d molecular structures
atomistic-machine-learning/cG-SchNet’s past year of commit activity
Python
53
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15
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Updated Mar 24, 2023
G-SchNet
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G-SchNet - a generative model for 3d molecular structures
atomistic-machine-learning/G-SchNet’s past year of commit activity
Python
130
MIT
24
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Updated Mar 24, 2023
atomistic-machine-learning/field_schnet’s past year of commit activity
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Updated May 19, 2022
SchNOrb
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Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
atomistic-machine-learning/SchNOrb’s past year of commit activity
Python
60
MIT
19
1
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Updated Sep 17, 2019
SchNet
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SchNet - a deep learning architecture for quantum chemistry
atomistic-machine-learning/SchNet’s past year of commit activity
Python
227
MIT
66
1
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Updated Sep 4, 2018
dtnn
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Deep Tensor Neural Network
atomistic-machine-learning/dtnn’s past year of commit activity
Python
77
MIT
31
0
0
Updated Jul 11, 2017
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