Graph Transformation Policy Network for Chemical Reaction Prediction

22 December 2018

Papers citing "Graph Transformation Policy Network for Chemical Reaction Prediction"

19 / 69 papers shown

Title
A Review of Graph Neural Networks and Their Applications in Power SystemsJournal of Modern Power Systems and Clean Energy (JMPSCE), 2021 Wenlong Liao B. Bak‐Jensen J. Pillai Yuelong Wang Yusen Wang GNN AI4CE 300 291 0 25 Jan 2021
Barking up the right tree: an approach to search over molecule synthesis DAGsNeural Information Processing Systems (NeurIPS), 2020 John Bradshaw Brooks Paige Matt J. Kusner Marwin H. S. Segler José Miguel Hernández-Lobato 287 67 0 21 Dec 2020
Non-autoregressive electron flow generation for reaction prediction Hangrui Bi Hengyi Wang Chence Shi Jian Tang 205 0 0 16 Dec 2020
A Systematic Survey on Deep Generative Models for Graph GenerationIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2020 Xiaojie Guo Bo Pan MedIm 420 178 0 13 Jul 2020
ASGN: An Active Semi-supervised Graph Neural Network for Molecular Property Prediction Zhong Hao Chengqiang Lu Zheyuan Hu Hongya Wang Zhenya Huang Qi Liu Enhong Chen Cheekong Lee 182 155 0 07 Jul 2020
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits Mikolaj Sacha Mikolaj Blaz Piotr Byrski Paweł Dąbrowski-Tumański Mikołaj Chromiński Rafał Loska Pawel Wlodarczyk-Pruszynski Stanislaw Jastrzebski GNN 278 177 0 27 Jun 2020
Minimal Variance Sampling with Provable Guarantees for Fast Training of Graph Neural NetworksKnowledge Discovery and Data Mining (KDD), 2020 Weilin Cong R. Forsati M. Kandemir M. Mahdavi 288 95 0 24 Jun 2020
Graph Neural Networks in TensorFlow and Keras with Spektral Daniele Grattarola Cesare Alippi GNN 255 163 0 22 Jun 2020
Explanation-based Weakly-supervised Learning of Visual Relations with Graph Networks Federico Baldassarre Kevin Smith Josephine Sullivan Hossein Azizpour 219 25 0 16 Jun 2020
Graph-Aware Transformer: Is Attention All Graphs Need? Sang-yong Yoo Young-Seok Kim Kang Lee Kuhwan Jeong Junhwi Choi Hoshik Lee Y. S. Choi GNN 169 11 0 09 Jun 2020
Learning to simulate and design for structural engineeringInternational Conference on Machine Learning (ICML), 2020 Kai-Hung Chang Chin-Yi Cheng AI4CE 286 61 0 20 Mar 2020
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesis Igor V. Tetko Pavel Karpov R. V. Deursen Guillaume Godin 132 6 0 05 Mar 2020
Graph Representation learning for Audio & Music genre Classification Shubham Dokania Vasudev Singh GNN 97 9 0 23 Oct 2019
Node Injection Attacks on Graphs via Reinforcement Learning Yiwei Sun Suhang Wang Xianfeng Tang Tsung-Yu Hsieh Vasant Honavar GNN AAML 162 46 0 14 Sep 2019
Graph Neural Networks: A Review of Methods and Applications Jie Zhou Ganqu Cui Shengding Hu Zhengyan Zhang Cheng Yang Zhiyuan Liu Lifeng Wang Changcheng Li Maosong Sun AI4CE GNN 1.9K 6,340 0 20 Dec 2018
Deep Learning on Graphs: A Survey Ziwei Zhang Peng Cui Wenwu Zhu GNN 436 1,482 0 11 Dec 2018
Molecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction PredictionACS Central Science (ACS Cent. Sci.), 2018 P. Schwaller Teodoro Laino John McGuinness A. Horváth Constantine Bekas A. Lee 364 865 0 06 Nov 2018
Relational dynamic memory networks Trang Pham T. Tran Svetha Venkatesh GNN 193 3 0 10 Aug 2018
Deep Graph Translation Xiaojie Guo Lingfei Wu Bo Pan GNN 186 35 0 25 May 2018