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keiserlab / keras-neural-graph-fingerprint

Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
MIT License
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Add bond features to NeuralGraphOutput #3

Closed tivaro closed 8 years ago

tivaro commented 8 years ago

In @bb377b328d6c578e1ee991dfd8e1382f51d1e188 I added bond features for NeuralGraphHidden, but not for NeuralGraphOutput. This needs to be fixed.