no code implementations • 21 Mar 2024 • Yan Wang, Lihao Wang, Yuning Shen, Yiqun Wang, Huizhuo Yuan, Yue Wu, Quanquan Gu
The conformational landscape of proteins is crucial to understanding their functionality in complex biological processes.
1 code implementation • 27 Mar 2023 • Yiqun Wang, Yuning Shen, Shi Chen, Lihao Wang, Fei Ye, Hao Zhou
In this work, we propose a Harmonic Molecular Representation learning (HMR) framework, which represents a molecule using the Laplace-Beltrami eigenfunctions of its molecular surface.