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https://github.com/kevinshen56714/polymer-molecular-dynamics

Modern, fast, python framework for building LAMMPS input and data files for predicting polymer properties
https://github.com/kevinshen56714/polymer-molecular-dynamics

computing computing-framework data-science high-performance-computing informatics lammps lammps-data lammps-input machine-learning machine-learning-pipelines materials-informatics molecular-dynamics molecular-dynamics-simulation polymer pypi pypi-package python python-library python3 simulations

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Modern, fast, python framework for building LAMMPS input and data files for predicting polymer properties

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