Constrained Graph Variational Autoencoders for Molecule Design

Qi Liu, Miltiadis Allamanis, Marc Brockschmidt, Alexander L. Gaunt. Constrained Graph Variational Autoencoders for Molecule Design. In Samy Bengio, Hanna M. Wallach, Hugo Larochelle, Kristen Grauman, Nicolò Cesa-Bianchi, Roman Garnett, editors, Advances in Neural Information Processing Systems 31: Annual Conference on Neural Information Processing Systems 2018, NeurIPS 2018, 3-8 December 2018, Montréal, Canada. pages 7806-7815, 2018. [doi]

Authors

Qi Liu

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Miltiadis Allamanis

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Marc Brockschmidt

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Alexander L. Gaunt

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