Proposing Novel Extrapolative Compounds by Nested Variational Autoencoders

6 February 2023

Papers citing "Proposing Novel Extrapolative Compounds by Nested Variational Autoencoders"

5 / 5 papers shown

Title
MolGAN: An implicit generative model for small molecular graphs Nicola De Cao Thomas Kipf GNN GAN 145 925 0 30 May 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 319 1,367 0 12 Feb 2018
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 112 1,012 0 25 Apr 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 147 2,921 0 07 Oct 2016
Auto-Encoding Variational Bayes Diederik P. Kingma Max Welling BDL 412 16,947 0 20 Dec 2013