most citedScalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing

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physics.chem-ph2026★ 1 cited

Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing

Chu Wang, Lin Huang, Xinran Wei +4

Machine learning force fields (MLFFs) have revolutionized molecular simulations by providing quantum mechanical accuracy at the speed of molecular mechanical computations. However,…