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bulk-modulus

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bracerino / mace-md-gui

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GUI for running simulations (single-point energy, geometry optimization, elastic properties, phonons, genetic algorithm for point defects) with machine learning MACE interatomic potential

gui genetic-algorithm molecular-dynamics ml phonons batch-script mace elastic-properties geometry-optimization streamlit point-defects energy-calculations bulk-modulus machine-learning-potential interatomic-potential mlip elastic-constants
  • Updated Jul 31, 2025
  • Python

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