publications

2025

  1. NeurIPS
    Flexible MOF Generation with Torsion-Aware Flow Matching
    Nayoung Kim, Seongsu Kim, and Sungsoo Ahn
    Neural Information Processing Systems (NeurIPS), 2025
    arXiv
  2. NeurIPS
    High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
    Seongsu Kim, Nayoung Kim, Dongwoo Kim, and Sungsoo Ahn
    Neural Information Processing Systems (NeurIPS), 2025
    arXiv
  3. ICLR
    MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
    Nayoung Kim, Seongsu Kim, Minsu Kim, Jinkyoo Park, and Sungsoo Ahn
    International Conference on Learning Representations (ICLR), 2025
    Neural Information Processing Systems (NeurIPS) AIDrugX Workshop, 2024
    arXiv
  4. TMLR
    Decoupled Sequence and Structure Generation for Realistic Antibody Design
    Nayoung Kim, Minsu Kim, Sungsoo Ahn, and Jinkyoo Park
    Transactions on Machine Learning Research (TMLR), 2025
    arXiv