IEEE

AntiViralDL: Computational Antiviral Drug Repurposing Using Graph Neural Network and Self-Supervised Learning

Abstract: Viral infections have emerged as significant public health concerns for decades. Antiviral drugs, specifically designed to combat these infections, have the potential to reduce the disease ...
IEEE

Rotation- and Permutation-Equivariant Quantum Graph Neural Network for 3D Graph Data

Abstract: Equivariant quantum graph neural networks (EQGNNs) offer a potentially powerful method to process graph data. However, existing EQGNN models only consider the permutation symmetry of graphs, ...