keiserlab / 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 Tensorflow #13

Open mojtabah opened 5 years ago

mojtabah commented 5 years ago

I replaced the Theano backend with Tensorflow and commented out the Theano from NGF/layers.py. The code works fine for example #1. Also, I am going to make it compatible with Keras 2 to address the errors in the other two examples.