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keiserlab
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keras-neural-graph-fingerprint
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
MIT License
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Compatible with Keras 2
#14
mojtabah
opened
5 years ago
0
Compatible with Tensorflow
#13
mojtabah
opened
5 years ago
0
Make compatible with Keras 2
#12
LimKaiZhuo
opened
6 years ago
3
Make compatible with tensorflow backend
#11
tivaro
opened
7 years ago
0
Make compatible with keras 2
#10
tivaro
opened
7 years ago
0
Improve neighbour lookup performance
#9
tivaro
closed
7 years ago
0
Use SparseTensors in preprocessing
#8
tivaro
opened
7 years ago
0
Implement sparse iterator
#7
tivaro
closed
7 years ago
0
Rewrite tensorise_smiles for multicore
#6
tivaro
closed
7 years ago
0
Add support for multiple internal layers.
#5
tivaro
closed
8 years ago
1
Implement Layers as layer wrapper
#4
tivaro
closed
8 years ago
2
Add bond features to NeuralGraphOutput
#3
tivaro
closed
8 years ago
0
Add trainable weights
#2
tivaro
closed
8 years ago
0
Bond representation
#1
tivaro
opened
8 years ago
0