8000 GitHub - sailfish009/molecular-vae: Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

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Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

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data		data
LICENSE		LICENSE
Molecular_VAE.ipynb		Molecular_VAE.ipynb
README.md		README.md

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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

Pytorch implementation of the paper Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules by:

Rafa Gómez-Bombarelli
David Duvenaud
José Miguel Hernández-Lobato
Jorge Aguilera-Iparraguirre
Timothy Hirzel
Ryan P. Adams
Alán Aspuru-Guzik

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Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

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