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• RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning
  2021 · 7 citations
• High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
  2025 · 6 citations
• Generative Flows on Synthetic Pathway for Drug Design
  2024 · 4 citations
• Learning Flexible Forward Trajectories for Masked Molecular Diffusion
  2025 · 3 citations
• Can LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversity
  2024 · 3 citations
• Self-Improved Retrosynthetic Planning
  2021 · 2 citations
• Substructure-Atom Cross Attention for Molecular Representation Learning
  2022 · 2 citations
• On scalable and efficient training of diffusion samplers
  2025 · 1 citations
• MT-Mol:Multi Agent System with Tool-based Reasoning for Molecular Optimization
  2025 · 1 citations
• INDIBATOR: Diverse and Fact-Grounded Individuality for Multi-Agent Debate in Molecular Discovery
  2026
• Riemannian MeanFlow
  2026
• A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
  2026
• Structural Reasoning Improves Molecular Understanding of LLM
  2024
• Transition Path Sampling with Improved Off-Policy Training of Diffusion Path Samplers
  2024
• Graph Generation with $K^2$-trees
  2023