Graph Polish: A Novel Graph Generation Paradigm for Molecular Optimization

14 August 2020

Papers citing "Graph Polish: A Novel Graph Generation Paradigm for Molecular Optimization"

8 / 8 papers shown

Title
Neighbour-level Message Interaction Encoding for Improved Representation Learning on Graphs Haimin Zhang Min Xu GNN 38 0 0 15 Apr 2024
Molecule optimization via multi-objective evolutionary in implicit chemical space Xin Xia Yansen Su Chunhou Zheng Xiangxiang Zeng 36 1 0 17 Dec 2022
Exploiting Neighbor Effect: Conv-Agnostic GNNs Framework for Graphs with Heterophily Jie Chen Shouzhen Chen Junbin Gao Zengfeng Huang Junping Zhang Jian Pu 47 23 0 19 Mar 2022
A Deep Generative Model for Molecule Optimization via One Fragment Modification Ziqi Chen Martin Renqiang Min S. Parthasarathy Xia Ning 21 61 0 08 Dec 2020
Smoothness Sensor: Adaptive Smoothness-Transition Graph Convolutions for Attributed Graph Clustering Chaojie Ji Hongwei Chen Ruxin Wang Yunpeng Cai Hongyan Wu 11 12 0 12 Sep 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 194 633 0 29 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 203 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,340 0 12 Feb 2018