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N
neural network potentials

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View calorine project

materials-modeling / calorine

A python tool box for GPUMD simulations

hiphive gpumd force constants molecular dy... phonons thermal cond... machine lear... neural netwo... Python thermal tran... atomic scale... physics condensed ma...

14

Updated Dec 12, 2025

14 4 1 9

Updated Dec 12, 2025