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chemical_vae
chemical_vae PublicCode for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
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stoned-selfies
stoned-selfies PublicThis repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
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