Crystal structures have a decisive impact on the properties of materials, and research on crystal structures often serves as a starting point for material studies. Crystal structure prediction is a ...

The 2024 Nobel Prize in Chemistry was recently granted to David Baker, Demis Hassabis and John M. Jumper, renowned for their pioneering works in protein design. In addition, Nature has recently ...

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 ...