MolGAN: An implicit generative model for small molecular graphs

30 May 2018

Papers citing "MolGAN: An implicit generative model for small molecular graphs"

50 / 146 papers shown

Title
MDM: Molecular Diffusion Model for 3D Molecule Generation Lei Huang Hengtong Zhang Tingyang Xu Ka-Chun Wong DiffM 20 81 0 13 Sep 2022
A Survey on Temporal Graph Representation Learning and Generative Modeling Shubham Gupta Srikanta J. Bedathur AI4TS AI4CE 29 6 0 25 Aug 2022
Graph neural networks for materials science and chemistry Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 50 373 0 05 Aug 2022
ME-GAN: Learning Panoptic Electrocardio Representations for Multi-view ECG Synthesis Conditioned on Heart Diseases Jintai Chen Kuan-Yu Liao Kun Wei Haochao Ying Danny Chen Jian Wu MedIm 21 18 0 21 Jul 2022
Controllable Data Generation by Deep Learning: A Review Shiyu Wang Yuanqi Du Xiaojie Guo Bo Pan Zhaohui Qin Liang Zhao 31 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 30 4 0 08 Jul 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation Peter Eckmann Kunyang Sun Bo-Lu Zhao Mudong Feng Michael K. Gilson Rose Yu BDL 43 44 0 17 Jun 2022
Exploring Chemical Space with Score-based Out-of-distribution Generation Seul Lee Jaehyeong Jo Sung Ju Hwang OODD 30 75 0 06 Jun 2022
An Unpooling Layer for Graph Generation Yi Guo Dongmian Zou Gilad Lerman 16 2 0 04 Jun 2022
Learning with Stochastic Orders Carles Domingo-Enrich Yair Schiff Youssef Mroueh 33 2 0 27 May 2022
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets Xingang Peng Shitong Luo Jiaqi Guan Qi Xie Jian-wei Peng Jianzhu Ma 27 176 0 15 May 2022
Data-Free Adversarial Knowledge Distillation for Graph Neural Networks Yu-Lin Zhuang Lingjuan Lyu Chuan Shi Carl Yang Lichao Sun 29 16 0 08 May 2022
Reinforcement learning on graphs: A survey Mingshuo Nie Dongming Chen Dongqi Wang 33 45 0 13 Apr 2022
SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators Karolis Martinkus Andreas Loukas Nathanael Perraudin Roger Wattenhofer 36 67 0 04 Apr 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 31 86 0 28 Mar 2022
Gransformer: Transformer-based Graph Generation Ahmad Khajenezhad Seyed Ali Osia Mahmood Karimian H. Beigy 22 2 0 25 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 31 67 0 13 Mar 2022
GROW: A Row-Stationary Sparse-Dense GEMM Accelerator for Memory-Efficient Graph Convolutional Neural Networks Ranggi Hwang M. Kang Jiwon Lee D. Kam Youngjoo Lee Minsoo Rhu GNN 16 20 0 01 Mar 2022
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder Myeong-Sung Lee K. Min 33 41 0 14 Feb 2022
Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations Jaehyeong Jo Seul Lee Sung Ju Hwang DiffM 22 210 0 05 Feb 2022
FastFlows: Flow-Based Models for Molecular Graph Generation Nathan C. Frey V. Gadepally Bharath Ramsundar 19 12 0 28 Jan 2022
Overcoming Oversmoothness in Graph Convolutional Networks via Hybrid Scattering Networks Frederik Wenkel Yimeng Min M. Hirn Michael Perlmutter Guy Wolf GNN 24 19 0 22 Jan 2022
Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation Mohammadamin Tavakoli Alexander Shmakov Francesco Ceccarelli Pierre Baldi GNN 39 8 0 02 Jan 2022
AugLiChem: Data Augmentation Library of Chemical Structures for Machine Learning Rishikesh Magar Yuyang Wang Cooper Lorsung Chen Liang Hariharan Ramasubramanian Peiyuan Li A. Farimani 28 27 0 30 Nov 2021
Network Generation with Differential Privacy Xu Zheng Nicholas McCarthy Jer Hayes 22 2 0 17 Nov 2021
Structure-aware generation of drug-like molecules Pavol Drotár Arian R. Jamasb Ben Day Cătălina Cangea Pietro Lió 26 17 0 07 Nov 2021
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
Deep Generative Models in Engineering Design: A Review Lyle Regenwetter A. Nobari Faez Ahmed 3DV AI4CE 34 175 0 21 Oct 2021
Molecular Graph Generation via Geometric Scattering Dhananjay Bhaskar Jackson D. Grady Michal Perlmutter Smita Krishnaswamy GNN 26 6 0 12 Oct 2021
CCGG: A Deep Autoregressive Model for Class-Conditional Graph Generation Yassaman Ommi Matin Yousefabadi Faezeh Faez Amirmojtaba Sabour M. Baghshah Hamid R. Rabiee GNN CML BDL 34 4 0 07 Oct 2021
Top-N: Equivariant set and graph generation without exchangeability Clément Vignac P. Frossard BDL 71 34 0 05 Oct 2021
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation Soojung Yang Doyeong Hwang Seul Lee Seongok Ryu Sung Ju Hwang 34 67 0 04 Oct 2021
Differentiable Scaffolding Tree for Molecular Optimization Tianfan Fu Wenhao Gao Cao Xiao Jacob Yasonik Connor W. Coley Jimeng Sun 25 75 0 22 Sep 2021
Unconditional Scene Graph Generation Sarthak Garg Helisa Dhamo Azade Farshad Sabrina Musatian Nassir Navab F. Tombari 10 23 0 12 Aug 2021
Geometric Deep Learning on Molecular Representations Kenneth Atz F. Grisoni G. Schneider AI4CE 34 287 0 26 Jul 2021
GraphGen-Redux: a Fast and Lightweight Recurrent Model for labeled Graph Generation Marco Podda D. Bacciu BDL 25 9 0 18 Jul 2021
Train on Small, Play the Large: Scaling Up Board Games with AlphaZero and GNN Shai Ben-Assayag Ran El-Yaniv GNN 27 9 0 18 Jul 2021
Deep Extrapolation for Attribute-Enhanced Generation Alvin Chan Ali Madani Ben Krause Nikhil Naik 24 24 0 07 Jul 2021
An Inverse QSAR Method Based on Linear Regression and Integer Programming Jianshen Zhu Naveed Ahmed Azam Kazuya Haraguchi Liang Zhao H. Nagamochi Tatsuya Akutsu 23 1 0 06 Jul 2021
Self-Contrastive Learning with Hard Negative Sampling for Self-supervised Point Cloud Learning Bianli Du Xiang Gao Wei Hu Xin Li 3DPC SSL 15 81 0 05 Jul 2021
Molecule Generation by Principal Subgraph Mining and Assembling Xiangzhe Kong Wenbing Huang Zhixing Tan Yang Liu GNN 21 45 0 29 Jun 2021
HDMapGen: A Hierarchical Graph Generative Model of High Definition Maps Lu Mi Hang Zhao C. Nash Xiaohan Jin Jiyang Gao Chen Sun Cordelia Schmid Nir Shavit Yuning Chai Drago Anguelov 16 52 0 28 Jun 2021
Graph Context Encoder: Graph Feature Inpainting for Graph Generation and Self-supervised Pretraining Oriel Frigo Rémy Brossard David Dehaene 37 1 0 18 Jun 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 23 100 0 09 Jun 2021
Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation Emmanuel Bengio Moksh Jain Maksym Korablyov Doina Precup Yoshua Bengio 24 306 0 08 Jun 2021
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design AkshatKumar Nigam R. Pollice Alán Aspuru-Guzik 29 51 0 07 Jun 2021
Dataset Bias in the Natural Sciences: A Case Study in Chemical Reaction Prediction and Synthesis Design Ryan-Rhys Griffiths P. Schwaller Alpha A. Lee AI4CE 37 19 0 06 May 2021
Brain Multigraph Prediction using Topology-Aware Adversarial Graph Neural Network Alaa Bessadok Mohamed Ali Mahjoub I. Rekik MedIm AI4CE 18 16 0 06 May 2021
Constructions in combinatorics via neural networks Adam Zsolt Wagner BDL 24 50 0 29 Apr 2021
Generating Multi-type Temporal Sequences to Mitigate Class-imbalanced Problem Lun Jiang N. S. Sadghiani Zhuo Tao Andrew Cohen 19 0 0 07 Apr 2021