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Author:
Ohmura Takuto
Summary:
MLIP wrapper for AMBER QM/MM (UMA, ORB, MACE, AIMNet2)
Latest version:
1.3.0
Required dependencies:
ase
|
numpy
Optional dependencies:
aimnet
|
fairchem-core
|
mace-torch
|
orb-models
|
torch
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