GitHub topics: machine-learned-interatomic-potentials
lab-cosmo/pet-mad
A universal interatomic potential for advanced materials modeling
Language: Python - Size: 333 KB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 67 - Forks: 4
autoatml/autoplex
Code for automated fitting of machine learned interatomic potentials.
Language: Python - Size: 107 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 114 - Forks: 16
SAMPEL-Group/solvent-inclusive-mlmm
Files to reproduce results of a study on solvent-inclusive ML/MM simulations
Language: Python - Size: 116 KB - Last synced at: 25 days ago - Pushed at: 25 days ago - Stars: 0 - Forks: 0
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: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0
