mlcolvar.core.stats.Stats

class mlcolvar.core.stats.Stats(*args: Any, **kwargs: Any)

Bases: Module

Base stats class. To implement a new stats override the compute and forward methods. The parameters of the stats should be set either in the initialization or via the setup_from_datamodule function.

__init__(*args: Any, **kwargs: Any) → None

Initialize internal Module state, shared by both nn.Module and ScriptModule.

Methods

compute(X)	Compute the parameters of the estimator
forward(X)	Apply estimator
teardown()

compute(X: Tensor)

Compute the parameters of the estimator

forward(X: Tensor)

Apply estimator

Attributes

T_destination
call_super_init
dump_patches
training