GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising

Hyeonsu Kim, Jeheon Woo, Seonghwan Kim 0004, Seokhyun Moon, Jun Hyeong Kim, Woo-Youn Kim. GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising. In Alice Oh, Tristan Naumann, Amir Globerson, Kate Saenko, Moritz Hardt, Sergey Levine, editors, Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023. 2023. [doi]

Abstract

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