MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive
Learning from Molecular Graph

MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph

5 June 2021

Papers citing "MoCL: Data-driven Molecular Fingerprint via Knowledge-aware Contrastive Learning from Molecular Graph"

18 / 18 papers shown

Title
Molecular Graph Contrastive Learning with Line Graph Xueyuan Chen Shangzhe Li Ruomei Liu Bowen Shi Qingbin Liu Junran Wu Ke Xu 48 0 0 15 Jan 2025
Tensor-Fused Multi-View Graph Contrastive Learning Yujia Wu Junyi Mo Elynn Chen Yuzhou Chen 29 1 0 20 Oct 2024
MolFusion: Multimodal Fusion Learning for Molecular Representations via Multi-granularity Views Muzhen Cai Sendong Zhao Haochun Wang Yanrui Du Zewen Qiang Bing Qin Ting Liu 37 0 0 26 Jun 2024
A Comprehensive Survey on Data Augmentation Zaitian Wang Pengfei Wang Kunpeng Liu Pengyang Wang Yanjie Fu Chang-Tien Lu Charu Aggarwal Jian Pei Yuanchun Zhou ViT 109 23 0 15 May 2024
Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns Yifei Sun Qi Zhu Yang Yang Chunping Wang Tianyu Fan Jiajun Zhu Lei Chen 51 12 0 21 Dec 2023
Better with Less: A Data-Active Perspective on Pre-Training Graph Neural Networks Jiarong Xu Renhong Huang Xin Jiang Yuxuan Cao Carl Yang Chunping Wang Yang Yang AI4CE 36 14 0 02 Nov 2023
Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules Zhiyuan Liu Yaorui Shi An Zhang Enzhi Zhang Kenji Kawaguchi Xiang Wang Tat-Seng Chua AI4CE 39 36 0 23 Oct 2023
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information Taojie Kuang Yiming Ren Zhixiang Ren 27 7 0 28 Sep 2023
Motif-aware Attribute Masking for Molecular Graph Pre-training Eric Inae Gang Liu Meng Jiang AI4CE 48 14 0 08 Sep 2023
InstructBio: A Large-scale Semi-supervised Learning Paradigm for Biochemical Problems Fang Wu Huiling Qin Siyuan Li Stan Z. Li Xianyuan Zhan Jinbo Xu 24 5 0 08 Apr 2023
Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey from Precision to Interpretability Zhiqiang Zhong A. Barkova Davide Mottin 29 8 0 16 Feb 2023
Data Augmentation on Graphs: A Technical Survey Jiajun Zhou Chenxuan Xie Shengbo Gong Z. Wen Xiangyu Zhao Qi Xuan Xiaoniu Yang AI4TS 24 8 0 20 Dec 2022
Molecular Joint Representation Learning via Multi-modal Information Tianyu Wu Yang Tang Qiyu Sun Luolin Xiong 24 14 0 25 Nov 2022
Analyzing Data-Centric Properties for Graph Contrastive Learning Puja Trivedi Ekdeep Singh Lubana Mark Heimann Danai Koutra Jayaraman J. Thiagarajan 30 11 0 04 Aug 2022
Does GNN Pretraining Help Molecular Representation? Ruoxi Sun Hanjun Dai Adams Wei Yu SSL AI4CE GNN 6 71 0 13 Jul 2022
Graph Data Augmentation for Graph Machine Learning: A Survey Tong Zhao Wei Jin Yozen Liu Yingheng Wang Gang Liu Stephan Günnemann Neil Shah Meng Jiang OOD 30 79 0 17 Feb 2022
ProGCL: Rethinking Hard Negative Mining in Graph Contrastive Learning Jun Xia Lirong Wu Ge Wang Jintao Chen Stan Z. Li 25 120 0 05 Oct 2021
Geometric Deep Learning on Molecular Representations Kenneth Atz F. Grisoni G. Schneider AI4CE 39 287 0 26 Jul 2021