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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: 5 days ago - Pushed at: 6 days ago - Stars: 77 - Forks: 14

lab-cosmo/pet-mad

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

Language: Python - Size: 140 KB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 63 - Forks: 4

raghurama123/Rev-MLP4Sol

Codes and data for the Review: "Machine-Learned Potentials for Solvation Modeling"

Language: Jupyter Notebook - Size: 2.22 MB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 0 - Forks: 0