EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction

Yang Zhang; Zhewei Wei; Ye Yuan; Chongxuan Li; Wenbing Huang

2024 ICML ICML 2024

EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction

Abstract

No abstract available. No abstract was captured for this paper when its proceedings were scraped - most often an older edition published without one online. How the corpus is built.

Authors

Yang Zhang, Zhewei Wei, Ye Yuan, Chongxuan Li, Wenbing Huang

Topics

Artificial Intelligence > Core AI > Multimodal Learning Machine Learning > Application Areas > Domain Adaptation Deep Learning > Architectures > Graph Neural Networks

Keywords

spatial structure chemical structure graph neural network equivariant local geometric information surface atom

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