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Nikolenko-Sergei
/
FukuiNet
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Feature Extraction
Transformers
PyTorch
English
fukui_net
chemistry
biology
DFT
molecular-property-prediction
graph-neural-networks
fukui-indices
reactivity
custom_code
License:
mit
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FukuiNet
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tests
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data
/
test_molecules.csv
Nikolenko-Sergei
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6c8c06a
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6 months ago
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74 Bytes
smiles,name
CCO,Ethanol
c1ccccc1,Benzene
CC
(=O)
OC1
=CC=CC=
C1C
(=O)O,Aspirin