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VAE trained on MOSES SMILES to produce novel molecules with druglike properties.

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drug_VAE

CNN Encoder/GRU Decoder Model architecture based on “Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.” by Gómez-Bombarelli, Rafael et al. (https://arxiv.org/pdf/1610.02415.pdf)

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VAE trained on MOSES SMILES to produce novel molecules with druglike properties.

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