deepmd_gnn

MACE plugin for DeePMD-kit.

Submodules

• deepmd_gnn.__main__
• deepmd_gnn._version
• deepmd_gnn.argcheck
• deepmd_gnn.autograd
• deepmd_gnn.cli
• deepmd_gnn.deepmd_ops
• deepmd_gnn.edge
• deepmd_gnn.env
• deepmd_gnn.export
• deepmd_gnn.mace
• deepmd_gnn.mace_network
• deepmd_gnn.mace_off
• deepmd_gnn.mace_off_cli
• deepmd_gnn.nequip
• deepmd_gnn.op
• deepmd_gnn.pt
• deepmd_gnn.pt_expt
• deepmd_gnn.stat_compat

Attributes

__version__

Functions

mace_model_args(→ dargs.Argument)

Arguments for the MACE model.

Package Contents

deepmd_gnn.__version__: str

deepmd_gnn.mace_model_args() → dargs.Argument

Arguments for the MACE model.

Returns

Argument

Arguments for the MACE model.