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]

@inproceedings{LiuABG18,
  title = {Constrained Graph Variational Autoencoders for Molecule Design},
  author = {Qi Liu and Miltiadis Allamanis and Marc Brockschmidt and Alexander L. Gaunt},
  year = {2018},
  url = {http://papers.nips.cc/paper/8005-constrained-graph-variational-autoencoders-for-molecule-design},
  researchr = {https://researchr.org/publication/LiuABG18},
  cites = {0},
  citedby = {0},
  pages = {7806-7815},
  booktitle = {Advances in Neural Information Processing Systems 31: Annual Conference on Neural Information Processing Systems 2018, NeurIPS 2018, 3-8 December 2018, Montréal, Canada},
  editor = {Samy Bengio and Hanna M. Wallach and Hugo Larochelle and Kristen Grauman and Nicolò Cesa-Bianchi and Roman Garnett},
}