FP-GNN: a versatile deep learning architecture for enhanced molecular
property prediction

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction

8 May 2022

Papers citing "FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction"

16 / 16 papers shown

Title
CL-MFAP: A Contrastive Learning-Based Multimodal Foundation Model for Molecular Property Prediction and Antibiotic Screening Gen Zhou Sugitha Janarthanan Yutong Lu Pingzhao Hu 40 0 0 16 Feb 2025
Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces Siqi Chen Zhiqiang Wang Xianqi Deng Yili Shen C. Ju ... Lin Xiong Guo Ling Dieaa Alhmoud Hui Guan Zhou Lin 29 0 0 03 Nov 2024
DELTA: Dual Consistency Delving with Topological Uncertainty for Active Graph Domain Adaptation Pengyun Wang Yadi Cao Chris Russell Yanxin Shen Junyu Luo Ming Zhang Siyu Heng Xiao Luo 40 1 0 13 Sep 2024
$Stacked ensemble\-based mutagenicity prediction model using multiple modalities with graph attention network$ Stacked ensemble\-based mutagenicity prediction model using multiple modalities with graph attention network Tanya Liyaqat T. Ahmad Mohammad Kashif Chandni Saxena 16 0 0 03 Sep 2024
Adapting Differential Molecular Representation with Hierarchical Prompts for Multi-label Property Prediction Linjia Kang Songhua Zhou Shuyan Fang Shichao Liu Wen Zhang AI4CE 44 3 0 29 May 2024
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey Taojie Kuang Pengfei Liu Zhixiang Ren AI4CE 47 1 0 11 Feb 2024
Triplet Interaction Improves Graph Transformers: Accurate Molecular Graph Learning with Triplet Graph Transformers Md Shamim Hussain Mohammed J. Zaki D. Subramanian ViT 28 5 0 07 Feb 2024
ADCNet: a unified framework for predicting the activity of antibody-drug conjugates Liye Chen Biaoshun Li Yihao Chen Mujie Lin Shipeng Zhang Chenxin Li Yu Pang Ling Wang 25 2 0 17 Jan 2024
Model Stealing Attack against Graph Classification with Authenticity, Uncertainty and Diversity Zhihao Zhu Chenwang Wu Rui Fan Yi Yang Defu Lian Enhong Chen AAML 25 0 0 18 Dec 2023
Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations Pengcheng Jiang Cao Xiao Tianfan Fu Jimeng Sun 37 3 0 02 Jun 2023
SELFormer: Molecular Representation Learning via SELFIES Language Models Atakan Yüksel Erva Ulusoy Atabey Ünlü Tunca Dogan 25 55 0 10 Apr 2023
Counterfactual Learning on Graphs: A Survey Zhimeng Guo Teng Xiao Zongyu Wu Charu C. Aggarwal Hui Liu Suhang Wang CML AI4CE 40 19 0 03 Apr 2023
Molecular Joint Representation Learning via Multi-modal Information Tianyu Wu Yang Tang Qiyu Sun Luolin Xiong 11 14 0 25 Nov 2022
VDDB: a comprehensive resource and machine learning platform for antiviral drug discovery Shunming Tao Yihao Chen Jingxing Wu Duancheng Zhao Hanxuan Cai Ling Wang 14 0 0 17 Sep 2022
GEM-2: Next Generation Molecular Property Prediction Network by Modeling Full-range Many-body Interactions Lihang Liu Donglong He Xiaomin Fang Shanzhuo Zhang Fan Wang Jingzhou He Hua-Hong Wu 19 3 0 11 Aug 2022
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 172 1,775 0 02 Mar 2017