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packages (e.g., LAMMPS). Machine learning interatomic potentials (e.g., GAP, MACE, NequIP ). Machine learning libraries and frameworks such as Scikit-learn, TensorFlow, or PyTorch, and e3nn_jax. If you have
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software (e.g., Quantum ESPRESSO). Molecular dynamics packages (e.g., LAMMPS). Machine learning interatomic potentials (e.g., GAP, MACE, NequIP ). Machine learning libraries and frameworks such as Scikit
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