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Merge pull request #590 from elcorto/feature-fix-docstrings
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Fix ParametersNetwork doc strings
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RandomDefaultUser authored Oct 21, 2024
2 parents 8e87783 + b1dc51d commit 47ab001
Showing 1 changed file with 8 additions and 7 deletions.
15 changes: 8 additions & 7 deletions mala/common/parameters.py
Original file line number Diff line number Diff line change
Expand Up @@ -225,18 +225,18 @@ class ParametersNetwork(ParametersBase):
----------
nn_type : string
Type of the neural network that will be used. Currently supported are
- "feed_forward" (default)
- "transformer"
- "lstm"
- "gru"
layer_sizes : list
A list of integers detailing the sizes of the layer of the neural
network. Please note that the input layer is included therein.
Default: [10,10,0]
layer_activations: list
layer_activations : list
A list of strings detailing the activation functions to be used
by the neural network. If the dimension of layer_activations is
smaller than the dimension of layer_sizes-1, than the first entry
Expand All @@ -247,25 +247,26 @@ class ParametersNetwork(ParametersBase):
- ReLU
- LeakyReLU
loss_function_type: string
loss_function_type : string
Loss function for the neural network
Currently supported loss functions include:
- mse (Mean squared error; default)
no_hidden_state : bool
If True hidden and cell state is assigned to zeros for LSTM Network.
false will keep the hidden state active
Default: False
bidirection: bool
bidirection : bool
Sets lstm network size based on bidirectional or just one direction
Default: False
num_hidden_layers: int
num_hidden_layers : int
Number of hidden layers to be used in lstm or gru or transformer nets
Default: None
num_heads: int
num_heads : int
Number of heads to be used in Multi head attention network
This should be a divisor of input dimension
Default: None
Expand Down Expand Up @@ -309,7 +310,7 @@ class ParametersDescriptors(ParametersBase):
descriptors. Default value for jmax is 5, so default value for
twojmax is 10.
lammps_compute_file: string
lammps_compute_file : string
Bispectrum calculation: LAMMPS input file that is used to calculate the
Bispectrum descriptors. If this string is empty, the standard LAMMPS input
file found in this repository will be used (recommended).
Expand Down

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