latest
Package Reference
ChemicalX
Data Structures and Loaders
Classes
BatchGenerator
ContextFeatureSet
DrugFeatureSet
DrugPairBatch
LabeledTriples
DatasetLoader
RemoteDatasetLoader
LocalDatasetLoader
DrugbankDDI
TwoSides
DrugComb
DrugCombDB
OncoPolyPharmacology
Class Inheritance Diagram
Pair Scoring Models
Classes
Model
UnimplementedModel
CASTER
DeepDDI
DeepDDS
DeepDrug
DeepSynergy
EPGCNDS
GCNBMP
MatchMaker
MHCADDI
MRGNN
SSIDDI
Class Inheritance Diagram
Pipeline
Notes
Installation
Introduction
Overview
Design Philosophy
Drug Feature Set
Context Feature Set
Labeled Triples
Dataset Loaders
Batch Generators and Drug Pair Batches
Models and Pipelines
Model Layers
Pipelines
Tutorial
Data Loading and Generator Definition
Model Training
Model Scoring
Data Cleaning
Drugbank DDI
TwoSides
External resources
Model Architectures
Related Software
chemicalx
»
Index
Edit on GitHub
Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
L
|
M
|
N
|
O
|
P
|
R
|
S
|
T
|
U
|
W
A
atom_comp() (MHCADDI method)
B
BatchGenerator (class in chemicalx.data)
C
CASTER (class in chemicalx.models)
chemicalx.data
module
chemicalx.models
module
chemicalx.pipeline
module
columns (LabeledTriples attribute)
context_channels (DatasetLoader attribute)
ContextFeatureSet (class in chemicalx.data)
contexts_name (LocalDatasetLoader attribute)
D
DatasetLoader (class in chemicalx.data)
DeepDDI (class in chemicalx.models)
DeepDDS (class in chemicalx.models)
DeepDrug (class in chemicalx.models)
DeepSynergy (class in chemicalx.models)
dictionary_encoder() (CASTER method)
drop_duplicates() (LabeledTriples method)
drug_channels (DatasetLoader attribute)
DrugbankDDI (class in chemicalx.data)
DrugComb (class in chemicalx.data)
DrugCombDB (class in chemicalx.data)
DrugFeatureSet (class in chemicalx.data)
DrugPairBatch (class in chemicalx.data)
dtype (LabeledTriples attribute)
E
EPGCNDS (class in chemicalx.models)
F
features_name (LocalDatasetLoader attribute)
forward() (CASTER method)
(DeepDDI method)
(DeepDDS method)
(DeepDrug method)
(DeepSynergy method)
(EPGCNDS method)
(GCNBMP method)
(MatchMaker method)
(MHCADDI method)
(MRGNN method)
(SSIDDI method)
from_dict() (ContextFeatureSet class method)
(DrugFeatureSet class method)
G
GCNBMP (class in chemicalx.models)
generate_batch() (BatchGenerator method)
generate_outer_segmentation() (MHCADDI method)
generate_path() (RemoteDatasetLoader method)
get_combination_count() (LabeledTriples method)
get_context_count() (LabeledTriples method)
get_context_features() (DatasetLoader method)
(LocalDatasetLoader method)
(RemoteDatasetLoader method)
get_drug_count() (LabeledTriples method)
get_drug_features() (DatasetLoader method)
(LocalDatasetLoader method)
(RemoteDatasetLoader method)
get_feature_matrix() (ContextFeatureSet method)
(DrugFeatureSet method)
get_generator() (DatasetLoader method)
get_generators() (DatasetLoader method)
get_labeled_triple_count() (LabeledTriples method)
get_labeled_triples() (DatasetLoader method)
(LocalDatasetLoader method)
(RemoteDatasetLoader method)
get_molecules() (DrugFeatureSet method)
get_negative_count() (LabeledTriples method)
get_negative_rate() (LabeledTriples method)
get_positive_count() (LabeledTriples method)
get_positive_rate() (LabeledTriples method)
L
LabeledTriples (class in chemicalx.data)
labels_name (LocalDatasetLoader attribute)
load_raw_csv_data() (RemoteDatasetLoader method)
load_raw_json_data() (RemoteDatasetLoader method)
LocalDatasetLoader (class in chemicalx.data)
M
MatchMaker (class in chemicalx.models)
MHCADDI (class in chemicalx.models)
Model (class in chemicalx.models)
module
chemicalx.data
chemicalx.models
chemicalx.pipeline
MRGNN (class in chemicalx.models)
N
num_contexts (DatasetLoader attribute)
num_drugs (DatasetLoader attribute)
num_labeled_triples (DatasetLoader attribute)
O
OncoPolyPharmacology (class in chemicalx.data)
P
pipeline() (in module chemicalx.pipeline)
preprocess() (LocalDatasetLoader method)
(OncoPolyPharmacology method)
R
RemoteDatasetLoader (class in chemicalx.data)
Result (class in chemicalx.pipeline)
S
save() (Result method)
SSIDDI (class in chemicalx.models)
structures_name (LocalDatasetLoader attribute)
summarize() (DatasetLoader method)
(Result method)
T
to() (DrugPairBatch method)
train_test_split() (LabeledTriples method)
TwoSides (class in chemicalx.data)
U
UnimplementedModel (class in chemicalx.models)
unpack() (CASTER method)
(DeepDDI method)
(DeepDDS method)
(DeepDrug method)
(DeepSynergy method)
(EPGCNDS method)
(GCNBMP method)
(MatchMaker method)
(MHCADDI method)
(Model method)
(MRGNN method)
(SSIDDI method)
W
write_contexts() (LocalDatasetLoader method)
write_drugs() (LocalDatasetLoader method)
write_labels() (LocalDatasetLoader method)
Read the Docs
v: latest
Versions
latest
stable
Downloads
html
On Read the Docs
Project Home
Builds