A Two-Step Graph Convolutional Decoder for Molecule Generation

8 June 2019

Papers citing "A Two-Step Graph Convolutional Decoder for Molecule Generation"

18 / 18 papers shown

Title
GIN-Graph: A Generative Interpretation Network for Model-Level Explanation of Graph Neural Networks Xiao Yue Guangzhi Qu Lige Gan GAN FAtt AI4CE 63 0 0 08 Mar 2025
GraphGANFed: A Federated Generative Framework for Graph-Structured Molecules Towards Efficient Drug Discovery Daniel Manu Jingjing Yao Wuji Liu Xiang Sun FedML 35 6 0 11 Apr 2023
SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators Karolis Martinkus Andreas Loukas Nathanael Perraudin Roger Wattenhofer 42 67 0 04 Apr 2022
A Survey on Deep Graph Generation: Methods and Applications Yanqiao Zhu Yuanqi Du Yinkai Wang Yichen Xu Jieyu Zhang Qiang Liu Shu Wu 3DV GNN 31 67 0 13 Mar 2022
Top-N: Equivariant set and graph generation without exchangeability Clément Vignac P. Frossard BDL 71 34 0 05 Oct 2021
Edge but not Least: Cross-View Graph Pooling Xiaowei Zhou Jie Yin Ivor W. Tsang 42 2 0 24 Sep 2021
Geometric learning of the conformational dynamics of molecules using dynamic graph neural networks Michael Ashby Jenna A. Bilbrey 25 4 0 24 Jun 2021
Graph Context Encoder: Graph Feature Inpainting for Graph Generation and Self-supervised Pretraining Oriel Frigo Rémy Brossard David Dehaene 37 1 0 18 Jun 2021
Brain Multigraph Prediction using Topology-Aware Adversarial Graph Neural Network Alaa Bessadok Mohamed Ali Mahjoub I. Rekik MedIm AI4CE 18 16 0 06 May 2021
Topology-Aware Generative Adversarial Network for Joint Prediction of Multiple Brain Graphs from a Single Brain Graph Alaa Bessadok Mohamed Ali Mahjoub I. Rekik MedIm 13 12 0 23 Sep 2020
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 44 147 0 13 Jul 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei Wang BDL 28 280 0 17 Jun 2020
A Survey of Deep Learning for Scientific Discovery M. Raghu Erica Schmidt OOD AI4CE 40 120 0 26 Mar 2020
Graph Representation Learning via Graphical Mutual Information Maximization Zhen Peng Wenbing Huang Minnan Luo Q. Zheng Yu Rong Tingyang Xu Junzhou Huang SSL 47 566 0 04 Feb 2020
Study of Deep Generative Models for Inorganic Chemical Compositions Yoshihide Sawada Koji Morikawa Mikiya Fujii GAN 20 13 0 25 Oct 2019
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 206 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 230 1,340 0 12 Feb 2018
Geometric deep learning on graphs and manifolds using mixture model CNNs Federico Monti Davide Boscaini Jonathan Masci Emanuele Rodolà Jan Svoboda M. Bronstein GNN 260 1,811 0 25 Nov 2016