SchNetPack
Get Started
Installation
Training your first models
User guide
Overview
Configuration and CLI
Running MD simulations with the CLI
Tutorials
Preparing and loading your data
Training a neural network on QM9
Training a model on forces and energies
Molecular dynamics in SchNetPack
Force Fields for Materials
How-To
Batchwise structure optimization is deprecated and will be upgraded soon
LAMMPS Interface
Reference
schnetpack
schnetpack.atomistic
schnetpack.data
schnetpack.datasets
schnetpack.task
schnetpack.model
schnetpack.representation
schnetpack.nn
Basic layers
Equivariant layers
Radial basis
Cutoff
Activations
Ops
Factory functions
nn.build_mlp
nn.build_gated_equivariant_mlp
nn.replicate_module
replicate_module()
schnetpack.train
schnetpack.transform
schnetpack.md
SchNetPack
schnetpack.nn
nn.replicate_module
View page source
nn.replicate_module
nn.
replicate_module
(
module_factory
:
Callable
[
[
]
,
torch.nn.Module
]
,
n
:
int
,
share_params
:
bool
)
[source]