Department of Chemistry, KAIST, Daejeon, South Korea
Hyeonsu Kim, Jeheon Woo, SEONGHWAN KIM, Seokhyun Moon, Jun Hyeong Kim, Woo Youn Kim
Mutual information;Easy-to-obtain geometry;Denoising;3D Graph neural network;OC20
GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising