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• Motif-based Graph Self-Supervised Learning for Molecular Property Prediction
  2021 · 44 citations
• An Equivariant Generative Framework for Molecular Graph-Structure Co-Design
  2023 · 19 citations
• Learning Subpocket Prototypes for Generalizable Structure-based Drug Design
  2023 · 9 citations
• Binding-Adaptive Diffusion Models for Structure-Based Drug Design
  2024 · 9 citations
• Geometric Deep Learning for Structure-Based Drug Design: A Survey
  2023 · 6 citations
• Graph Self-Supervised Learning for Optoelectronic Properties of Organic Semiconductors
  2021 · 4 citations
• Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation
  2024 · 3 citations
• Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?
  2024 · 3 citations
• DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking
  2024 · 2 citations
• Multi-scale Iterative Refinement towards Robust and Versatile Molecular Docking
  2023 · 1 citations
• SafeProtein: Red-Teaming Framework and Benchmark for Protein Foundation Models
  2025
• FoldMark: Protecting Protein Generative Models with Watermarking
  2024