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• Self-Supervised Graph Transformer on Large-Scale Molecular Data
  2020 · 416 citations
• Multi-View Graph Neural Networks for Molecular Property Prediction
  2020 · 35 citations
• DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations
  2022 · 21 citations
• ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug Discovery
  2022 · 9 citations
• Activity Cliff Prediction: Dataset and Benchmark
  2023 · 7 citations
• Learning Invariant Molecular Representation in Latent Discrete Space
  2023 · 5 citations
• ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking
  2023 · 3 citations
• UniMoT: Unified Molecule-Text Language Model with Discrete Token Representation
  2024 · 2 citations
• HIGHT: Hierarchical Graph Tokenization for Molecule-Language Alignment
  2024 · 2 citations
• SyNDock: N Rigid Protein Docking via Learnable Group Synchronization
  2023 · 2 citations
• Can Pre-trained Models Really Learn Better Molecular Representations for AI-aided Drug Discovery?
  2022 · 1 citations
• 3D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding
  2025
• InversionGNN: A Dual Path Network for Multi-Property Molecular Optimization
  2025
• Enhancing Neural Subset Selection: Integrating Background Information into Set Representations
  2024