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  1. Solubility-Prediction-with-Graph-Neural-Networks Solubility-Prediction-with-Graph-Neural-Networks Public archive

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    Open source neural network to generate novel molecules adapted from GENTRL

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  4. del_jtvae del_jtvae Public

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  5. semi-jtvae semi-jtvae Public

    Forked from tsa87/semi-jtvae

    Semi-supervised implementation of Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation.

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  6. icml18-jtnn icml18-jtnn Public

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