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Topic: "machine-learned-interatomic-potentials"

autoatml/autoplex

Code for automated fitting of machine learned interatomic potentials.

Language: Python - Size: 107 MB - Last synced at: 4 days ago - Pushed at: 5 days ago - Stars: 76 - Forks: 13

lab-cosmo/pet-mad

PET-MAD, a universal interatomic potential for advanced materials modeling

Language: Python - Size: 146 KB - Last synced at: 10 days ago - Pushed at: 18 days ago - Stars: 62 - Forks: 3

Related Topics
atomistic-machine-learning 1 atomistic-modelling 1 atomistic-simulations 1 high-throughput-computing 1 ml-potentials 1 mlips 1 machine-learning 1 molecular-dynamics 1 universal-potential 1