Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have used ...

Graph machine learning (or graph model), represented by graph neural networks, employs machine learning (especially deep learning) to graph data and is an important research direction in the ...

The World Health Organization reports a steady increase in cancer patients worldwide, marking it as a major health threat. Preventing and treating cancer has become a global priority, with identifying ...