BioinformaticsbioRxivPreprint
3D Molecular Pretraining via Localized Geometric Generation
Yuancheng Sun, Kai Chen, Kang Liu, Qiwei Ye
This paper introduces LEGO, a self-supervised learning method for 3D molecular structures using tetrahedrons as building blocks, showing improved performance in molecular property prediction.
DOI 10.1101/2024.09.10.612249