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most citedSeed-Coder: Let the Code Model Curate Data for Itself

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cs.CE2026

MDAgent2: Large Language Model for Code Generation and Knowledge Q&A in Molecular Dynamics

Zhuofan Shi, Hubao A, Yufei Shao +8

Molecular dynamics (MD) simulations are essential for understanding atomic-scale behaviors in materials science, yet writing LAMMPS scripts remains highly specialized and time-cons…