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Philosophy
What is PhysicsML?
MolFlux
Tutorials
QM9 training
Energy and forces training
QM9 with uncertainty
Transfer learning
PhysicsML structure
PhysicsML structure
MolFlux layer
Lightning layer
Torch layer
Transfer learning
Datasets
QM datasets
Features
PhysicsML features
Add your own physicsml features
Models
PhysicsML models
Allegro
ANI
EGNN
MACE
NequIP
TensorNet
Add your own model architecture
Plugins
OpenMM
ASE
Index
