Drug Discovery with Dynamic Goal-aware Fragments

2 October 2023

Papers citing "Drug Discovery with Dynamic Goal-aware Fragments"

6 / 6 papers shown

Title
Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation Mohit Pandey G. Subbaraj Artem Cherkasov Martin Ester Emmanuel Bengio AI4CE 81 1 0 08 Mar 2025
Conditional Graph Information Bottleneck for Molecular Relational Learning Namkyeong Lee Dongmin Hyun Gyoung S. Na Sungwon Kim Junseok Lee Chanyoung Park 30 23 0 29 Apr 2023
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 185 187 0 01 Feb 2021
Graph Information Bottleneck Tailin Wu Hongyu Ren Pan Li J. Leskovec AAML 93 224 0 24 Oct 2020
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