1 code implementation • 29 Jun 2021 • Bumju Kwak, Jiwon Park, Taewon Kang, Jeonghee Jo, Byunghan Lee, Sungroh Yoon
In recent years, molecular representation learning has emerged as a key area of focus in various chemical tasks.
no code implementations • 14 Jun 2021 • Jeonghee Jo, Bumju Kwak, Byunghan Lee, Sungroh Yoon
Message passing neural network provides an effective framework for capturing molecular geometric features with the perspective of a molecule as a graph.