Na, Gyoung S.
- Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge
2024/10/28 by Noh, Heewoong, Lee, Namkyeong, Na, Gyoung S. +1 · 3 citations
#Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
- Conditional Graph Information Bottleneck for Molecular Relational Learning
2023/04/29 by Namkyeong Lee, Dongmin Hyun, Lee, Namkyeong +9 · 2 citations
Computer Science · Materials Science · #Advanced Graph Neural Networks #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Molecular Networks (q-bio.MN)
- Shift-Robust Molecular Relational Learning with Causal Substructure
2023/05/29 by Lee, Namkyeong, Yoon, Kanghoon, Na, Gyoung S. +2 · 2 citations
#Artificial Intelligence (cs.AI) #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Molecular Networks (q-bio.MN)
- Predicting Density of States via Multi-modal Transformer
2023/03/13 by Lee, Namkyeong, Noh, Heewoong, Kim, Sungwon +3 · 1 citation
#Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- Compositional Representation of Polymorphic Crystalline Materials
2023/11/17 by Lee, Namkyeong, Noh, Heewoong, Na, Gyoung S. +4 · 1 citation
#FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra
2025/08/22 by Noh, Heewoong, Lee, Namkyeong, Na, Gyoung S. +2 · 1 citation
#Artificial Intelligence (cs.AI) #FOS: Computer and information sciences