gninatorch
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Contents:
Getting Started
GNINA Models
API Documentation
gninatorch
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Index
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D
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F
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G
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H
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I
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L
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M
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O
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P
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S
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T
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W
A
affinity (gninatorch.models.Model attribute)
AffinityLoss (class in gninatorch.losses)
D
Default2017 (class in gninatorch.models)
Default2017Affinity (class in gninatorch.models)
Default2017Flex (class in gninatorch.models)
Default2017Pose (class in gninatorch.models)
Default2018 (class in gninatorch.models)
Default2018Affinity (class in gninatorch.models)
Default2018Flex (class in gninatorch.models)
Default2018Pose (class in gninatorch.models)
Dense (class in gninatorch.models)
DenseAffinity (class in gninatorch.models)
DenseBlock (class in gninatorch.models)
DenseFlex (class in gninatorch.models)
DensePose (class in gninatorch.models)
F
flex (gninatorch.models.Model attribute)
forward() (gninatorch.losses.AffinityLoss method)
(gninatorch.losses.ScaledNLLLoss method)
(gninatorch.models.Default2017 method)
(gninatorch.models.Default2017Affinity method)
(gninatorch.models.Default2017Flex method)
(gninatorch.models.Default2017Pose method)
(gninatorch.models.Default2018 method)
(gninatorch.models.Default2018Affinity method)
(gninatorch.models.Default2018Flex method)
(gninatorch.models.Default2018Pose method)
(gninatorch.models.Dense method)
(gninatorch.models.DenseAffinity method)
(gninatorch.models.DenseBlock method)
(gninatorch.models.DenseFlex method)
(gninatorch.models.DensePose method)
(gninatorch.models.GNINAModelEnsemble method)
(gninatorch.models.HiResAffinity method)
(gninatorch.models.HiResPose method)
G
GNINAModelEnsemble (class in gninatorch.models)
gninatorch
module
gninatorch.dataloaders
module
gninatorch.gnina
module
gninatorch.inference
module
gninatorch.losses
module
gninatorch.metrics
module
gninatorch.models
module
gninatorch.setup
module
gninatorch.training
module
gninatorch.transforms
module
gninatorch.utils
module
GriddedExamplesLoader (class in gninatorch.dataloaders)
H
HiResAffinity (class in gninatorch.models)
HiResPose (class in gninatorch.models)
I
inference() (in module gninatorch.inference)
L
load_gnina_model() (in module gninatorch.gnina)
load_gnina_models() (in module gninatorch.gnina)
log_print() (in module gninatorch.utils)
M
main() (in module gninatorch.gnina)
Model (class in gninatorch.models)
model (gninatorch.models.Model attribute)
module
gninatorch
gninatorch.dataloaders
gninatorch.gnina
gninatorch.inference
gninatorch.losses
gninatorch.metrics
gninatorch.models
gninatorch.setup
gninatorch.training
gninatorch.transforms
gninatorch.utils
O
options() (in module gninatorch.gnina)
(in module gninatorch.inference)
(in module gninatorch.training)
out_features() (gninatorch.models.DenseBlock method)
output_transform_ROC() (in module gninatorch.transforms)
output_transform_ROC_flex() (in module gninatorch.transforms)
output_transform_select_affinity() (in module gninatorch.transforms)
output_transform_select_affinity_abs() (in module gninatorch.transforms)
output_transform_select_flex() (in module gninatorch.transforms)
output_transform_select_log_flex() (in module gninatorch.transforms)
output_transform_select_log_pose() (in module gninatorch.transforms)
output_transform_select_pose() (in module gninatorch.transforms)
P
print_args() (in module gninatorch.utils)
S
ScaledNLLLoss (class in gninatorch.losses)
set_device() (in module gninatorch.utils)
setup_example_provider() (in module gninatorch.setup)
setup_gnina_model() (in module gninatorch.gnina)
setup_grid_maker() (in module gninatorch.setup)
setup_metrics() (in module gninatorch.metrics)
T
training (gninatorch.losses.AffinityLoss attribute)
(gninatorch.losses.ScaledNLLLoss attribute)
(gninatorch.models.Default2017 attribute)
(gninatorch.models.Default2017Affinity attribute)
(gninatorch.models.Default2017Flex attribute)
(gninatorch.models.Default2017Pose attribute)
(gninatorch.models.Default2018 attribute)
(gninatorch.models.Default2018Affinity attribute)
(gninatorch.models.Default2018Flex attribute)
(gninatorch.models.Default2018Pose attribute)
(gninatorch.models.Dense attribute)
(gninatorch.models.DenseAffinity attribute)
(gninatorch.models.DenseBlock attribute)
(gninatorch.models.DenseFlex attribute)
(gninatorch.models.DensePose attribute)
(gninatorch.models.GNINAModelEnsemble attribute)
(gninatorch.models.HiResAffinity attribute)
(gninatorch.models.HiResPose attribute)
training() (in module gninatorch.training)
W
weights_and_biases_init() (in module gninatorch.models)