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Installation
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Feature of Molecular System —
molann.feature
Artificial Neural networks for Molecular System —
molann.ann
molann
Index
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Index
A
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C
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D
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F
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G
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I
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M
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N
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O
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P
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R
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S
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T
A
align_atom_indices (molann.ann.AlignmentLayer attribute)
AlignmentLayer (class in molann.ann)
ann_layers (molann.ann.MolANN attribute)
atom_group (molann.feature.Feature attribute)
C
create_sequential_nn() (in module molann.ann)
D
dim() (molann.ann.FeatureMap method)
F
Feature (class in molann.feature)
FeatureFileReader (class in molann.feature)
FeatureLayer (class in molann.ann)
FeatureMap (class in molann.ann)
forward() (molann.ann.AlignmentLayer method)
(molann.ann.FeatureLayer method)
(molann.ann.FeatureMap method)
(molann.ann.MolANN method)
(molann.ann.PreprocessingANN method)
G
get_atom_indices() (molann.feature.Feature method)
get_feature() (molann.ann.FeatureLayer method)
get_feature_info() (molann.ann.FeatureLayer method)
(molann.feature.Feature method)
(molann.feature.FeatureFileReader method)
get_feature_list() (molann.feature.FeatureFileReader method)
get_name() (molann.feature.Feature method)
get_num_of_features() (molann.feature.FeatureFileReader method)
get_preprocessing_layer() (molann.ann.MolANN method)
get_type() (molann.feature.Feature method)
get_type_id() (molann.feature.Feature method)
I
input_atom_indices (molann.ann.AlignmentLayer attribute)
input_atom_num (molann.ann.AlignmentLayer attribute)
M
module
molann.ann
molann.feature
MolANN (class in molann.ann)
molann.ann
module
molann.feature
module
N
name (molann.feature.Feature attribute)
O
output_dimension() (molann.ann.FeatureLayer method)
(molann.ann.PreprocessingANN method)
P
preprocessing_layer (molann.ann.MolANN attribute)
PreprocessingANN (class in molann.ann)
R
read() (molann.feature.FeatureFileReader method)
ref_x (molann.ann.AlignmentLayer attribute)
S
show_info() (molann.ann.AlignmentLayer method)
T
type_id (molann.feature.Feature attribute)
type_name (molann.feature.Feature attribute)
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