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• 3D Infomax improves GNNs for Molecular Property Prediction
  2021 · 85 citations
• Drug-Drug Adverse Effect Prediction with Graph Co-Attention
  2019 · 69 citations
• Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
  2023 · 54 citations
• Modular multi-source prediction of drug side-effects with DruGNN
  2022 · 31 citations
• On the Expressive Power of Geometric Graph Neural Networks
  2023 · 24 citations
• Graph Denoising Diffusion for Inverse Protein Folding
  2023 · 20 citations
• RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design
  2024 · 11 citations
• Understanding Biology in the Age of Artificial Intelligence
  2024 · 9 citations
• SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints
  2024 · 8 citations
• gRNAde: Geometric Deep Learning for 3D RNA inverse design
  2023 · 7 citations
• TourSynbio: A Multi-Modal Large Model and Agent Framework to Bridge Text and Protein Sequences for Protein Engineering
  2024 · 5 citations
• Topotein: Topological Deep Learning for Protein Representation Learning
  2025 · 2 citations
• SynCoGen: Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling
  2025 · 1 citations
• Sparsity is All You Need: Rethinking Biological Pathway-Informed Approaches in Deep Learning
  2025 · 1 citations
• CIN++: Enhancing Topological Message Passing
  2023 · 1 citations