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"

13 / 13 papers shown

Title
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 95 21 0 15 May 2024
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 31 14 0 02 Nov 2023
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information Taojie Kuang Yiming Ren Zhixiang Ren 19 7 0 28 Sep 2023
Motif-aware Attribute Masking for Molecular Graph Pre-training Eric Inae Gang Liu Meng-Long Jiang AI4CE 40 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 11 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 14 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 16 8 0 20 Dec 2022
Molecular Joint Representation Learning via Multi-modal Information Tianyu Wu Yang Tang Qiyu Sun Luolin Xiong 11 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 26 11 0 04 Aug 2022
Does GNN Pretraining Help Molecular Representation? Ruoxi Sun Hanjun Dai Adams Wei Yu SSL AI4CE GNN 4 70 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-Long Jiang OOD 25 79 0 17 Feb 2022
ProGCL: Rethinking Hard Negative Mining in Graph Contrastive Learning Jun-Xiong 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 22 285 0 26 Jul 2021