Junction Tree Variational Autoencoder for Molecular Graph Generation ​

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Authors: Wengong Jin, Regina Barzilay, Tom Jaakkola
Year: 2018
Journal: ICML
DOI: 10.48550/arXiv.1802.04364
Publisher: https://arxiv.org/abs/1802.04364

Keywords: jtvae, molecular generation

Abstract ​

We propose a junction tree based VAE for molecular graph generation.

Cite this paper ​

@misc{jtvae2018,
  title  = {Junction Tree Variational Autoencoder for Molecular Graph Generation},
  author = {Wengong Jin, Regina Barzilay, Tom Jaakkola},
  year   = {2018},
  journal = {ICML},
  doi    = {10.48550/arXiv.1802.04364},
  url    = {https://doi.org/10.48550/arXiv.1802.04364},
}

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