Molecular graph generation with Graph Neural Networks

Molecular graph generation with Graph Neural Networks

14 December 2020

Monica Bianchini

Papers citing "Molecular graph generation with Graph Neural Networks"

19 / 19 papers shown

Title
Mesh-Informed Reduced Order Models for Aneurysm Rupture Risk Prediction Giuseppe Alessio DÍnverno Saeid Moradizadeh Sajad Salavatidezfouli Pasquale Claudio Africa G. Rozza AI4CE 36 0 0 04 Oct 2024
MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation Zhaoning Yu Hongyang Gao 37 3 0 21 May 2024
Conditional Shift-Robust Conformal Prediction for Graph Neural Network Akansha Agrawal UQCV 48 1 0 20 May 2024
EvGNN: An Event-driven Graph Neural Network Accelerator for Edge Vision Yufeng Yang Adrian Kneip Charlotte Frenkel GNN 28 4 0 30 Apr 2024
Improving Expressive Power of Spectral Graph Neural Networks with Eigenvalue Correction Kangkang Lu Yanhua Yu Hao Fei Xuan Li Zixuan Yang Zirui Guo Meiyu Liang Mengran Yin Tat-Seng Chua 19 3 0 28 Jan 2024
Information-Theoretic Generalization Bounds for Transductive Learning and its Applications Huayi Tang Yong Liu 53 1 0 08 Nov 2023
Accel-GCN: High-Performance GPU Accelerator Design for Graph Convolution Networks Xiaoru Xie Hongwu Peng Amit Hasan Shaoyi Huang Jiahui Zhao Haowen Fang Wei Zhang Tong Geng O. Khan Caiwen Ding GNN 30 30 0 22 Aug 2023
RAHNet: Retrieval Augmented Hybrid Network for Long-tailed Graph Classification Zhengyan Mao Wei Ju Yifang Qin Xiao Luo Ming Zhang 13 16 0 04 Aug 2023
QDC: Quantum Diffusion Convolution Kernels on Graphs Thomas Markovich GNN 10 3 0 20 Jul 2023
Graph Contrastive Learning for Multi-omics Data Nishant Rajadhyaksha Aarushi Chitkara 15 6 0 03 Jan 2023
A Deep Learning Approach to the Prediction of Drug Side-Effects on Molecular Graphs P. Bongini Elisa Messori Niccolò Pancino Monica Bianchini GNN OOD 13 2 0 30 Nov 2022
Towards Prototype-Based Self-Explainable Graph Neural Network Enyan Dai Suhang Wang 25 12 0 05 Oct 2022
Towards Sparsification of Graph Neural Networks Hongwu Peng Deniz Gurevin Shaoyi Huang Tong Geng Weiwen Jiang O. Khan Caiwen Ding GNN 30 24 0 11 Sep 2022
An Unpooling Layer for Graph Generation Yi Guo Dongmian Zou Gilad Lerman 10 2 0 04 Jun 2022
Fairness in Graph Mining: A Survey Yushun Dong Jing Ma Song Wang Chen Chen Jundong Li FaML 29 112 0 21 Apr 2022
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder Myeong-Sung Lee K. Min 25 41 0 14 Feb 2022
Towards Self-Explainable Graph Neural Network Enyan Dai Suhang Wang 25 83 0 26 Aug 2021
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 189 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,332 0 12 Feb 2018