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MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations

Jichen Li, Fabian Schwarz, Wentao Guo 0004, Ge Sun, Daniel Brandell. MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations. Journal of Chemical Information and Computer Sciences, 66(13):7562-7572, 2026. [doi]

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