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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 17, 2025

14 4 0 9

Updated Dec 17, 2025
View gmnn project

Viktor Zaverkin / gmnn

machine lear... molecular dy... Active Learning transfer lea... molecular mo... Materials Si... Python machine lear...

11

Updated Dec 07, 2022

11 4 0 0

Updated Dec 07, 2022