Interface for simulations and standalone Python script generation with universal machine-learning interatomic potentials (MACE, CHGNet, SevenNet, NequIP, ORB, Allegro, MatterSim, UPET, GRACE, UMA, ALIGNN-FF)
genetic-algorithm molecular-dynamics phonons mace elastic-properties dpa geometry-optimization streamlit point-defects bulk-modulus machine-learning-potential interatomic-potential machine-learning-interatomic-potential mlip elastic-constants chgnet sevennet nequix mattersim temperature-elastic-properties
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Updated
Sep 23, 2026 - Python