基于深度图学习药物发现的若干论文

Multi-task joint strategies of self-supervised representation learning on biomedical networks for drug discovery

Drug-target interaction prediction based on spatial consistency constraint and graph convolutional autoencoder

Hierarchical graph learning for protein–protein interaction

O-GNN: incorporating ring priors into molecular modeling

Diffusion Models for Causal Discovery via Topological Ordering

Matching receptor to odorant with protein language and graph neural network

Learning Hierarchical Protein Representations via Complete 3D Graph Networks

Predicting Drug Repurposing Candidates and Their Mechanisms from A Biomedical Knowledge Graph

Cross-modal Graph Contrastive Learning with Cellular Images

Substructure-Atom Cross Attention for Molecular Representation Learning

GraphCG: Unsupervised Discovery of Steerable Factors in Graphs

Look in The Mirror: Molecular Graph Contrastive Learning with Line Graph

Data-Efficient Protein 3D Geometric Pretraining via Refinement of Diffused Protein Structure Decoy

TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction

ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs

Does GNN Pretraining Help Molecular Representation?

GeoDiff: A Geometric Diffusion Model for Molecular Conformation Generation

Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery

Geometric Transformers for Protein Interface Contact Prediction

scGAC: a graph attentional architecture for clustering single-cell RNA-seq data

Do Transformers Really Perform Bad for Graph Representation?

Few-Shot Graph Learning for Molecular Property Prediction

Molecular generative Graph Neural Networks for Drug Discovery

Strategies for Pre-training Graph Neural Networks

擅长现代信号处理(改进小波分析系列，改进变分模态分解，改进经验小波变换，改进辛几何模态分解等等)，改进机器学习，改进深度学习，机械故障诊断，改进时间序列分析(金融信号，心电信号，振动信号等)