De Novo Molecular Generation via Connection-aware Motif Mining

2 February 2023

Papers citing "De Novo Molecular Generation via Connection-aware Motif Mining"

5 / 5 papers shown

Title
Motif-aware Attribute Masking for Molecular Graph Pre-training Eric Inae Gang Liu Meng Jiang AI4CE 45 14 0 08 Sep 2023
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning Xiangzhe Kong Wen-bing Huang Yang Liu 22 13 0 02 Jun 2023
Learning Task-relevant Representations for Generalization via Characteristic Functions of Reward Sequence Distributions Rui Yang Jie Wang Zijie Geng Mingxuan Ye Shuiwang Ji Bin Li Fengli Wu OOD 31 20 0 20 May 2022
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 1,338 0 12 Feb 2018