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 Systematic Survey on Deep Generative Models for Graph Generation Xiaojie Guo Liang Zhao MedIm 46 147 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 27 137 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 30 142 0 27 Jun 2020
Minimal Variance Sampling with Provable Guarantees for Fast Training of Graph Neural Networks Weilin Cong R. Forsati M. Kandemir M. Mahdavi 30 84 0 24 Jun 2020
Graph Neural Networks in TensorFlow and Keras with Spektral Daniele Grattarola Cesare Alippi GNN 16 155 0 22 Jun 2020
Explanation-based Weakly-supervised Learning of Visual Relations with Graph Networks Federico Baldassarre Kevin Smith Josephine Sullivan Hossein Azizpour 31 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 22 11 0 09 Jun 2020
Learning to simulate and design for structural engineering Kai-Hung Chang Chin-Yi Cheng AI4CE 38 49 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 19 6 0 05 Mar 2020
Graph Representation learning for Audio & Music genre Classification Shubham Dokania Vasudev Singh GNN 28 8 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 4 43 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 33 5,406 0 20 Dec 2018
Deep Learning on Graphs: A Survey Ziwei Zhang Peng Cui Wenwu Zhu GNN 54 1,321 0 11 Dec 2018
Molecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction Prediction P. Schwaller Teodoro Laino John McGuinness A. Horváth Constantine Bekas A. Lee 36 719 0 06 Nov 2018
Relational dynamic memory networks Trang Pham T. Tran Svetha Venkatesh GNN 21 3 0 10 Aug 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 215 886 0 07 Jun 2018
Deep Graph Translation Xiaojie Guo Lingfei Wu Liang Zhao GNN 22 32 0 25 May 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 242 1,340 0 12 Feb 2018
Interaction Networks for Learning about Objects, Relations and Physics Peter W. Battaglia Razvan Pascanu Matthew Lai Danilo Jimenez Rezende Koray Kavukcuoglu AI4CE OCL PINN GNN 283 1,401 0 01 Dec 2016