GeoT: A Geometry-Aware Transformer for Reliable Molecular Property Prediction and Chemically Interpretable Representation Learning

• Bumju Kwak,
• Jiwon Park,
• Taewon Kang,
• Jeonghee Jo,
• Byunghan Lee,
• Sungroh Yoon

Affiliations

Bumju Kwak

Recommendation Team, Kakao Corporation, Gyeonggi, Republic of Korea

Jiwon Park

LG Chem, Seoul, Republic of Korea

Taewon Kang

Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Republic of Korea

Jeonghee Jo

Institute of New Media and Communications, Seoul National University, Seoul, Republic of Korea

Byunghan Lee

Department of Electronic Engineering, Seoul National University of Science and Technology, Seoul, Republic of Korea

Sungroh Yoon

Interdisciplinary Program in Artificial Intelligence, Seoul National University, Seoul, Republic of Korea