Conditional Constrained Graph Variational Autoencoders for Molecule
Design

Conditional Constrained Graph Variational Autoencoders for Molecule Design

1 September 2020

Nicoló Navarin

Papers citing "Conditional Constrained Graph Variational Autoencoders for Molecule Design"

16 / 16 papers shown

Title
Interpreting Equivariant Representations Andreas Abildtrup Hansen Anna Calissano Aasa Feragen 93 1 0 23 Jan 2024
A Systematic Assessment of Deep Learning Models for Molecule Generation Davide Rigoni Nicoló Navarin A. Sperduti 42 6 0 20 Aug 2020
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 257 650 0 29 Nov 2018
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 103 707 0 22 Nov 2018
Constrained Generation of Semantically Valid Graphs via Regularizing Variational Autoencoders Tengfei Ma Jie Chen Cao Xiao 116 209 0 07 Sep 2018
MolGAN: An implicit generative model for small molecular graphs Nicola De Cao Thomas Kipf GNN GAN 175 925 0 30 May 2018
Constrained Graph Variational Autoencoders for Molecule Design Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt BDL 73 455 0 23 May 2018
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discovery Kristina Preuer Philipp Renz Thomas Unterthiner Sepp Hochreiter Günter Klambauer MedIm 93 338 0 26 Mar 2018
Syntax-Directed Variational Autoencoder for Structured Data H. Dai Yingtao Tian Bo Dai Steven Skiena Le Song 100 328 0 24 Feb 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 352 1,367 0 12 Feb 2018
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models G. L. Guimaraes Benjamín Sánchez-Lengeling Carlos Outeiral Pedro Luis Cunha Farias Alán Aspuru-Guzik GAN 75 525 0 30 May 2017
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 83 841 0 06 Mar 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 161 2,929 0 07 Oct 2016
Adversarial Autoencoders Alireza Makhzani Jonathon Shlens Navdeep Jaitly Ian Goodfellow Brendan J. Frey GAN 86 2,224 0 18 Nov 2015
Gated Graph Sequence Neural Networks Yujia Li Daniel Tarlow Marc Brockschmidt R. Zemel GNN 344 3,282 0 17 Nov 2015
Auto-Encoding Variational Bayes Diederik P. Kingma Max Welling BDL 450 16,933 0 20 Dec 2013

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