NeVAE: A Deep Generative Model for Molecular Graphs

14 February 2018

Manuel Gomez Rodriguez

Papers citing "NeVAE: A Deep Generative Model for Molecular Graphs"

20 / 20 papers shown

Title
Latent Bayesian Optimization via Autoregressive Normalizing Flows Seunghun Lee Jinyoung Park Jaewon Chu Minseo Yoon H. Kim BDL 25 1 0 21 Apr 2025
PieClam: A Universal Graph Autoencoder Based on Overlapping Inclusive and Exclusive Communities Daniel Zilberg Ron Levie 31 0 0 18 Sep 2024
Beyond 1-WL with Local Ego-Network Encodings Nurudin Alvarez-Gonzalez Andreas Kaltenbrunner Vicencc Gómez 23 5 0 27 Nov 2022
NVDiff: Graph Generation through the Diffusion of Node Vectors Xiaohui Chen Yukun Li Aonan Zhang Liping Liu DiffM 15 21 0 19 Nov 2022
Micro and Macro Level Graph Modeling for Graph Variational Auto-Encoders Kiarash Zahirnia Oliver Schulte Parmis Naddaf Ke Li 25 10 0 30 Oct 2022
Maximum Common Subgraph Guided Graph Retrieval: Late and Early Interaction Networks Indradyumna Roy Soumen Chakrabarti A. De GNN 22 4 0 20 Oct 2022
Controllable Data Generation by Deep Learning: A Review Shiyu Wang Yuanqi Du Xiaojie Guo Bo Pan Zhaohui Qin Liang Zhao 29 28 0 19 Jul 2022
GEMS: Scene Expansion using Generative Models of Graphs Rishi G. Agarwal Tirupati Saketh Chandra Vaidehi Patil Aniruddha Mahapatra K. Kulkarni Vishwa Vinay 28 4 0 08 Jul 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 19 86 0 28 Mar 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 26 67 0 13 Mar 2022
Brick-by-Brick: Combinatorial Construction with Deep Reinforcement Learning H. Chung Jungtaek Kim Boris Knyazev Jinhwi Lee Graham W. Taylor Jaesik Park Minsu Cho SSL OffRL 18 20 0 29 Oct 2021
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 43 56 0 21 Dec 2020
A Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 26 145 0 13 Jul 2020
Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions Abdulelah S. Alshehri R. Gani Fengqi You AI4CE 22 83 0 18 May 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 23 425 0 26 Jan 2020
A Gentle Introduction to Deep Learning for Graphs D. Bacciu Federico Errica A. Micheli Marco Podda AI4CE GNN 32 276 0 29 Dec 2019
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 189 884 0 07 Jun 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 149 182 0 30 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,332 0 12 Feb 2018
Constrained Bayesian Optimization for Automatic Chemical Design Ryan-Rhys Griffiths José Miguel Hernández-Lobato BDL 37 76 0 16 Sep 2017