25 citations · 25 across the 2 of their papers we have counts for
3 papers
q-bio.QM2023
Protein Language Model-Powered 3D Ligand Binding Site Prediction from Protein Sequence
Shuo Zhang, Lei Xie
Prediction of ligand binding sites of proteins is a fundamental and important task for understanding the function of proteins and screening potential drugs. Most existing methods r…
cs.LG2023★ 25 cited
A Universal Framework for Accurate and Efficient Geometric Deep Learning of Molecular Systems
Shuo Zhang, Yang Liu, Lei Xie
Molecular sciences address a wide range of problems involving molecules of different types and sizes and their complexes. Recently, geometric deep learning, especially Graph Neural…
cs.LG2023
Learning Universal and Robust 3D Molecular Representations with Graph Convolutional Networks
Shuo Zhang, Yang Liu, Li Xie +1
To learn accurate representations of molecules, it is essential to consider both chemical and geometric features. To encode geometric information, many descriptors have been propos…