A Deep Generative Model for Fragment-Based Molecule Generation

A Deep Generative Model for Fragment-Based Molecule Generation

28 February 2020

Alessio Micheli

Papers citing "A Deep Generative Model for Fragment-Based Molecule Generation"

12 / 12 papers shown

Title
Overcoming Order in Autoregressive Graph Generation Edo Cohen-Karlik Eyal Rozenberg Daniel Freedman 36 1 0 04 Feb 2024
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction Jiaqi Guan Wesley Wei Qian Xingang Peng Yufeng Su Jian-wei Peng Jianzhu Ma DiffM 34 162 0 06 Mar 2023
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design Keir Adams Connor W. Coley 39 25 0 06 Oct 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
GraphGen-Redux: a Fast and Lightweight Recurrent Model for labeled Graph Generation Marco Podda D. Bacciu BDL 30 10 0 18 Jul 2021
MEG: Generating Molecular Counterfactual Explanations for Deep Graph Networks Danilo Numeroso D. Bacciu 29 38 0 16 Apr 2021
Deep Evolutionary Learning for Molecular Design Yifeng Li H. K. Ooi A. Tchagang 27 14 0 28 Dec 2020
Barking up the right tree: an approach to search over molecule synthesis DAGs John Bradshaw Brooks Paige Matt J. Kusner Marwin H. S. Segler José Miguel Hernández-Lobato 56 56 0 21 Dec 2020
A Deep Generative Model for Molecule Optimization via One Fragment Modification Ziqi Chen Martin Renqiang Min Srinivasan Parthasarathy Xia Ning 21 62 0 08 Dec 2020
Graph Polish: A Novel Graph Generation Paradigm for Molecular Optimization Chaojie Ji Yijia Zheng Ruxin Wang Yunpeng Cai Hongyan Wu 26 18 0 14 Aug 2020
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 46 147 0 13 Jul 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 242 1,340 0 12 Feb 2018