Macromolecular modeling refers to the construction of models of biological macromolecules and polymer materials, such as proteins, DNA/RNA nucleic acids, polysaccharides and synthetic polymers. In this process, computational techniques and theoretical models are used to accurately describe the three-dimensional structure and chemical properties of these complex molecules. The modeling covers quantum mechanics, molecular dynamics and finite element methods, which aims to capture the basic properties and structural details of molecules in detail. Through macromolecular modeling, scientists can deeply understand the details at the molecular level and lay a solid foundation for further scientific research, experimental design and even computational simulation. This process plays an important role in elucidating the structural and functional mechanism of biomolecules and the development of new drugs and materials.