Conditional Constrained Graph Variational Autoencoders for Molecule Design

1 September 2020

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

6 / 6 papers shown

Title
Interpreting Equivariant Representations Andreas Abildtrup Hansen Anna Calissano Aasa Feragen 58 1 0 23 Jan 2024
A Deep Learning Approach to the Prediction of Drug Side-Effects on Molecular Graphs P. Bongini Elisa Messori Niccolò Pancino Monica Bianchini GNN OOD 23 2 0 30 Nov 2022
Conditional $β$ -VAE for De Novo Molecular Generation Ryan J. Richards A. Groener BDL DRL 24 10 0 01 May 2022
Molecular graph generation with Graph Neural Networks P. Bongini Monica Bianchini F. Scarselli GNN 30 136 0 14 Dec 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 197 633 0 29 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 239 1,340 0 12 Feb 2018