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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

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