aimnet

Here are 3 public repositories matching this topic...

MLIP (Machine Learning Interatomic Potential) plugins for ORCA ExtTool (ProgExt) interface.

plugin orca orb mace uma geometry-optimization transition-state machine-learning-interatomic-potential mlip aimnet

MLIP (Machine Learning Interatomic Potential) plugins for Gaussian 16 External interface.

plugin orb mace uma geometry-optimization g16 transition-state machine-learning-interatomic-potential mlip aimnet

MLIP (Machine Learning Interatomic Potential) plugins for ML/MM MD simulations with AmberTools25.

plugin molecular-dynamics-simulation orb mace ambertools md uma machine-learning-interatomic-potential mlip aimnet mlmm

Add a description, image, and links to the aimnet topic page so that developers can more easily learn about it.

To associate your repository with the aimnet topic, visit your repo's landing page and select "manage topics."