deepmd.pt.model.network.mlp

Module Contents

Classes

MLPLayer

Base class for all neural network modules.

MLP

Native representation of a neural network.

NetworkCollection

PyTorch implementation of NetworkCollection.

Functions

empty_t(shape, precision)

Attributes

device

__version__

MLP_

EmbeddingNet

FittingNet

deepmd.pt.model.network.mlp.device[source]
deepmd.pt.model.network.mlp.__version__ = 'unknown'[source]
deepmd.pt.model.network.mlp.empty_t(shape, precision)[source]
class deepmd.pt.model.network.mlp.MLPLayer(num_in, num_out, bias: bool = True, use_timestep: bool = False, activation_function: str | None = None, resnet: bool = False, bavg: float = 0.0, stddev: float = 1.0, precision: str = DEFAULT_PRECISION)[source]

Bases: torch.nn.Module

Base class for all neural network modules.

Your models should also subclass this class.

Modules can also contain other Modules, allowing to nest them in a tree structure. You can assign the submodules as regular attributes:

import torch.nn as nn
import torch.nn.functional as F

class Model(nn.Module):
    def __init__(self):
        super().__init__()
        self.conv1 = nn.Conv2d(1, 20, 5)
        self.conv2 = nn.Conv2d(20, 20, 5)

    def forward(self, x):
        x = F.relu(self.conv1(x))
        return F.relu(self.conv2(x))

Submodules assigned in this way will be registered, and will have their parameters converted too when you call to(), etc.

Note

As per the example above, an __init__() call to the parent class must be made before assignment on the child.

Variables:

training (bool) – Boolean represents whether this module is in training or evaluation mode.

check_type_consistency()[source]
dim_in() int[source]
dim_out() int[source]
forward(xx: torch.Tensor) torch.Tensor[source]

One MLP layer used by DP model.

Parameters:
xxtorch.Tensor

The input.

Returns:
yy: torch.Tensor

The output.

serialize() dict[source]

Serialize the layer to a dict.

Returns:
dict

The serialized layer.

classmethod deserialize(data: dict) MLPLayer[source]

Deserialize the layer from a dict.

Parameters:
datadict

The dict to deserialize from.

deepmd.pt.model.network.mlp.MLP_[source]
class deepmd.pt.model.network.mlp.MLP(*args, **kwargs)[source]

Bases: MLP_

Native representation of a neural network.

Parameters:
layerslist[NativeLayer], optional

The layers of the network.

forward[source]
deepmd.pt.model.network.mlp.EmbeddingNet[source]
deepmd.pt.model.network.mlp.FittingNet[source]
class deepmd.pt.model.network.mlp.NetworkCollection(*args, **kwargs)[source]

Bases: deepmd.dpmodel.utils.NetworkCollection, torch.nn.Module

PyTorch implementation of NetworkCollection.

NETWORK_TYPE_MAP: ClassVar[Dict[str, type]][source]