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• 2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate Supervision
  2025 · 3 citations
• GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks
  2023 · 3 citations
• Advancing Drug Discovery with Enhanced Chemical Understanding via Asymmetric Contrastive Multimodal Learning
  2023 · 2 citations
• Predicting the Stereoselectivity of Chemical Transformations by Machine Learning
  2021 · 2 citations
• Motif-based Graph Representation Learning with Application to Chemical Molecules
  2022 · 1 citations
• Enhancing Peak Assignment in 13C NMR Spectroscopy: A Novel Approach Using Multimodal Alignment
  2023 · 1 citations
• Graph Multi-Similarity Learning for Molecular Property Prediction
  2024 · 1 citations
• Cross-Modality Controlled Molecule Generation with Diffusion Language Model
  2025