Publications
From core algorithms and theoretical insights to applied systems tackling perception, language, and decision making.
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High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
Advances in Neural Information Processing Systems (NeurIPS)
Seongsu Kim, Nayoung Kim, Dongwoo Kim, Sungsoo Ahn
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Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization
International Conference on Machine Learning (ICML)
Seungbeom Lee*, Munsun Jo*, Jungseul Ok, Dongwoo Kim
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Substructure-Atom Cross Attention for Molecular Representation Learning
Advances in Neural Information Processing Systems, Workshop on AI for Science
Jiye Kim*, Seungbeom Lee*, Dongwoo Kim, Sungsoo Ahn, Jaesik Park