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cs.AI2026
ReCurveflow: A Flow Matching Framework that Learns Curved Reaction Trajectories to Predict Transition State Geometries
Seungheun Baek, Mogan Gim, Jaewoo Kang
Predicting transition states (TS) in chemical reactions is crucial, as they provide insights into reaction mechanisms. Recent work on TS prediction have focused on flow matching su…
cs.AI2025
HiRef: Leveraging Hierarchical Ontology and Network Refinement for Robust Medication Recommendation
Yan Ting Chok, Soyon Park, Seungheun Baek +3
Medication recommendation is a crucial task for assisting physicians in making timely decisions from longitudinal patient medical records. However, real-world EHR data present sign…