chemical_vae
SMILES encoder
A software framework for constructing and training variational autoencoders for encoding molecular SMILES into compact code vectors.
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
495 stars
36 watching
182 forks
Language: Python
last commit: about 2 years ago
Linked from 1 awesome list
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