Molecule Attention Transformer

19 February 2020

Stanislaw Jastrzebski

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Papers citing "Molecule Attention Transformer"

31 / 31 papers shown

Title
GrokFormer: Graph Fourier Kolmogorov-Arnold Transformers Guoguo Ai Guansong Pang Hezhe Qiao Yuan Gao Hui Yan 121 0 0 26 Nov 2024
Do Attention Heads in BERT Track Syntactic Dependencies? Phu Mon Htut Jason Phang Shikha Bordia Samuel R. Bowman 55 137 0 27 Nov 2019
SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery Shion Honda Shoi Shi H. Ueda MedIm 62 174 0 12 Nov 2019
Self-Attention Based Molecule Representation for Predicting Drug-Target Interaction Bonggun Shin Sungsoo Park Keunsoo Kang Joyce C. Ho 46 139 0 15 Aug 2019
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models Guangyong Chen Pengfei Chen Chang-Yu Hsieh Chee-Kong Lee B. Liao ... J. Qiu Qiming Sun Jie Tang R. Zemel Shengyu Zhang 50 76 0 22 Jun 2019
What Does BERT Look At? An Analysis of BERT's Attention Kevin Clark Urvashi Khandelwal Omer Levy Christopher D. Manning MILM 196 1,592 0 11 Jun 2019
A survey on Big Data and Machine Learning for Chemistry J. F. Rodrigues L. Florea Maria Cristina Ferreira de Oliveira D. Diamond Osvaldo N. Oliveira AI4CE 31 6 0 23 Apr 2019
Attention Augmented Convolutional Networks Irwan Bello Barret Zoph Ashish Vaswani Jonathon Shlens Quoc V. Le 132 1,012 0 22 Apr 2019
Analyzing Learned Molecular Representations for Property Prediction Kevin Kaichuang Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden ... Andrew Palmer Volker Settels Tommi Jaakkola K. Jensen Regina Barzilay 91 1,314 0 02 Apr 2019
Graph Warp Module: an Auxiliary Module for Boosting the Power of Graph Neural Networks in Molecular Graph Analysis Katsuhiko Ishiguro S. Maeda Masanori Koyama GNN 55 32 0 04 Feb 2019
Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation Hyeoncheol Cho I. Choi 42 56 0 24 Nov 2018
BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding Jacob Devlin Ming-Wei Chang Kenton Lee Kristina Toutanova VLM SSL SSeg 1.3K 94,479 0 11 Oct 2018
Relational inductive biases, deep learning, and graph networks Peter W. Battaglia Jessica B. Hamrick V. Bapst Alvaro Sanchez-Gonzalez V. Zambaldi ... Pushmeet Kohli M. Botvinick Oriol Vinyals Yujia Li Razvan Pascanu AI4CE NAI 558 3,109 0 04 Jun 2018
PotentialNet for Molecular Property Prediction Evan N. Feinberg Debnil Sur Zhenqin Wu B. Husic Huanghao Mai Yang Li Saisai Sun Jianyi Yang Bharath Ramsundar Vijay S. Pande 48 364 0 12 Mar 2018
Self-Attention with Relative Position Representations Peter Shaw Jakob Uszkoreit Ashish Vaswani 146 2,283 0 06 Mar 2018
Edge Attention-based Multi-Relational Graph Convolutional Networks Chao Shang Qinqing Liu Ko-Shin Chen Jiangwen Sun Jin Lu Jinfeng Yi J. Bi GNN 140 93 0 14 Feb 2018
Adaptive Graph Convolutional Neural Networks Ruoyu Li Sheng Wang Feiyun Zhu Junzhou Huang GNN 111 755 0 10 Jan 2018
Neural Natural Language Inference Models Enhanced with External Knowledge Qian Chen Xiao-Dan Zhu Zhenhua Ling Diana Inkpen Si Wei 47 218 0 12 Nov 2017
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 403 20,061 0 30 Oct 2017
Learning Graph-Level Representation for Drug Discovery Junying Li Deng Cai Xiaofei He GNN AI4CE 54 116 0 12 Sep 2017
Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models Garrett B. Goh Charles Siegel Abhinav Vishnu Nathan Oken Hodas Nathan Baker 73 158 0 20 Jun 2017
Attention Is All You Need Ashish Vaswani Noam M. Shazeer Niki Parmar Jakob Uszkoreit Llion Jones Aidan Gomez Lukasz Kaiser Illia Polosukhin 3DV 547 130,873 0 12 Jun 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 403 7,430 0 04 Apr 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 315 1,822 0 02 Mar 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 145 2,921 0 07 Oct 2016
Molecular Graph Convolutions: Moving Beyond Fingerprints S. Kearnes Kevin McCloskey Marc Berndl Vijay S. Pande Patrick F. Riley GNN 135 1,449 0 02 Mar 2016
Learning to SMILE(S) Stanislaw Jastrzebski Damian Lesniak Wojciech M. Czarnecki 50 89 0 19 Feb 2016
AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery Izhar Wallach Michael Dzamba Abraham Heifets 74 541 0 10 Oct 2015
Convolutional Networks on Graphs for Learning Molecular Fingerprints David Duvenaud D. Maclaurin J. Aguilera-Iparraguirre Rafael Gómez-Bombarelli Timothy D. Hirzel Alán Aspuru-Guzik Ryan P. Adams GNN 183 3,345 0 30 Sep 2015
Adam: A Method for Stochastic Optimization Diederik P. Kingma Jimmy Ba ODL 1.3K 149,820 0 22 Dec 2014
Neural Machine Translation by Jointly Learning to Align and Translate Dzmitry Bahdanau Kyunghyun Cho Yoshua Bengio AIMat 433 27,260 0 01 Sep 2014