Motif-based Graph Self-Supervised Learning for Molecular Property Prediction

3 October 2021

Qi Liu

Papers citing "Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"

25 / 125 papers shown

Title
Improving Molecular Pretraining with Complementary Featurizations Yanqiao Zhu Dingshuo Chen Yuanqi Du Yingze Wang Qiang Liu Shu Wu AI4CE 44 7 0 29 Sep 2022
Model Inversion Attacks against Graph Neural Networks Zaixin Zhang Qi Liu Zhenya Huang Hao Wang Cheekong Lee Enhong AAML 23 35 0 16 Sep 2022
Graph Neural Networks for Molecules Yuyang Wang Zijie Li A. Farimani GNN AI4CE 52 20 0 12 Sep 2022
Can Pre-trained Models Really Learn Better Molecular Representations for AI-aided Drug Discovery? Ziqiao Zhang Yatao Bian Ailin Xie Peng Han Long-Kai Huang Shuigeng Zhou 32 5 0 21 Aug 2022
Motif-based Graph Representation Learning with Application to Chemical Molecules Yifei Wang Shiyang Chen Guobin Chen Ethan Shurberg Hang Liu Pengyu Hong GNN 33 14 0 09 Aug 2022
Federated Graph Machine Learning: A Survey of Concepts, Techniques, and Applications Xingbo Fu Binchi Zhang Yushun Dong Chen Chen Jundong Li FedML OOD AI4CE 38 35 0 24 Jul 2022
Graph-based Molecular Representation Learning Zhichun Guo Kehan Guo B. Nan Yijun Tian Roshni G. Iyer ... Olaf Wiest Xiangliang Zhang Wei Wang Chuxu Zhang Nitesh V. Chawla AI4CE 27 60 0 08 Jul 2022
Pre-training Transformers for Molecular Property Prediction Using Reaction Prediction J. Broberg Maria Bånkestad Erik Ylipää AI4CE 21 5 0 06 Jul 2022
CoSP: Co-supervised pretraining of pocket and ligand Zhangyang Gao Cheng Tan Lirong Wu Stan Z. Li 29 19 0 23 Jun 2022
Omni-Granular Ego-Semantic Propagation for Self-Supervised Graph Representation Learning Ling Yang linda Qiao 51 12 0 31 May 2022
Tyger: Task-Type-Generic Active Learning for Molecular Property Prediction Kuangqi Zhou Kaixin Wang Jiashi Feng Jian Tang Tingyang Xu Xinchao Wang 29 1 0 23 May 2022
Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction Rishikesh Magar Yuyang Wang Amir Barati Farimani 35 57 0 04 May 2022
Attention-wise masked graph contrastive learning for predicting molecular property Hui Liu Yibiao Huang Xuejun Liu L. Deng 25 33 0 02 May 2022
BSAL: A Framework of Bi-component Structure and Attribute Learning for Link Prediction Bisheng Li Min Zhou Shengzhong Zhang Menglin Yang Defu Lian Zengfeng Huang 34 11 0 18 Apr 2022
Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast Yuyang Wang Rishikesh Magar Chen Liang A. Farimani 48 78 0 18 Feb 2022
Knowledge-informed Molecular Learning: A Survey on Paradigm Transfer Yin Fang Zhuo Chen Xiaohui Fan Qiang Zhang 51 3 0 17 Feb 2022
A Survey of Pretraining on Graphs: Taxonomy, Methods, and Applications Jun Xia Yanqiao Zhu Yuanqi Du Stan Z. Li VLM 30 41 0 16 Feb 2022
ProtGNN: Towards Self-Explaining Graph Neural Networks Zaixin Zhang Qi Liu Hao Wang Chengqiang Lu Chee-Kong Lee 25 128 0 02 Dec 2021
Molformer: Motif-based Transformer on 3D Heterogeneous Molecular Graphs Fang Wu Dragomir R. Radev Huabin Xing ViT 36 54 0 04 Oct 2021
RRLFSOR: An Efficient Self-Supervised Learning Strategy of Graph Convolutional Networks Feng Sun Ajith Kumar Guanci Yang Qikui Zhu Yiyun Zhang Ansi Zhang Dhruv Makwana SSL GNN 36 0 0 17 Aug 2021
Property-Aware Relation Networks for Few-Shot Molecular Property Prediction Yaqing Wang Abulikemu Abuduweili Quanming Yao Dejing Dou 42 68 0 16 Jul 2021
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Jerret Ross Brian M. Belgodere Vijil Chenthamarakshan Inkit Padhi Youssef Mroueh Payel Das AI4CE 27 274 0 17 Jun 2021
Motif-Driven Contrastive Learning of Graph Representations Shichang Zhang Ziniu Hu Arjun Subramonian Yizhou Sun SSL 30 8 0 23 Dec 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 242 1,340 0 12 Feb 2018
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 251 1,787 0 02 Mar 2017