MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction

MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction

27 September 2022

Papers citing "MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction"

15 / 15 papers shown

Title
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 214 199 0 01 Feb 2021
Masked Label Prediction: Unified Message Passing Model for Semi-Supervised Classification Yunsheng Shi Zhengjie Huang Shikun Feng Hui Zhong Wenjin Wang Yu Sun AI4CE 73 780 0 08 Sep 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 60 144 0 27 Jun 2020
MoFlow: An Invertible Flow Model for Generating Molecular Graphs Chengxi Zang Fei Wang BDL 114 292 0 17 Jun 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 158 438 0 26 Jan 2020
Retrosynthesis Prediction with Conditional Graph Logic Network H. Dai Chengtao Li Connor W. Coley Bo Dai Le Song 51 182 0 06 Jan 2020
Learning to Make Generalizable and Diverse Predictions for Retrosynthesis Benson Chen T. Shen Tommi Jaakkola Regina Barzilay 54 46 0 21 Oct 2019
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs Kaushalya Madhawa Katushiko Ishiguro Kosuke Nakago Motoki Abe BDL 98 191 0 28 May 2019
Graph Matching Networks for Learning the Similarity of Graph Structured Objects Yujia Li Chenjie Gu T. Dullien Oriol Vinyals Pushmeet Kohli 96 528 0 29 Apr 2019
Fast Graph Representation Learning with PyTorch Geometric Matthias Fey J. E. Lenssen 3DH GNN 3DPC 210 4,334 0 06 Mar 2019
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 274 902 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 333 1,367 0 12 Feb 2018
Retrosynthetic reaction prediction using neural sequence-to-sequence models Bowen Liu Bharath Ramsundar Prasad Kawthekar Jade Shi Joseph Gomes Quang Luu Nguyen Stephen Ho Jack L. Sloane P. Wender Vijay S. Pande 55 418 0 06 Jun 2017
SGDR: Stochastic Gradient Descent with Warm Restarts I. Loshchilov Frank Hutter ODL 288 8,091 0 13 Aug 2016
Empirical Evaluation of Gated Recurrent Neural Networks on Sequence Modeling Junyoung Chung Çağlar Gülçehre Kyunghyun Cho Yoshua Bengio 534 12,692 0 11 Dec 2014