A Python library for efficient molecular screening using MCMC random walks on hypergraphs. Given a query molecule, the algorithm finds structurally similar molecules from large chemical databases ...
Abstract: Hypergraph neural networks (HGNNs) effectively model complex high-order relationships in domains like protein interactions and social networks by connecting multiple vertices through ...
Abstract: Accurate fault diagnosis in industrial robots used in automotive assembly lines, electronics manufacturing, and precision machining operations is critical for maintaining operational safety ...