DeepPurpose
latest
Background
Features of DeepPurpose
Features
What is drug repurposing, virtual screening and drug-target interaction prediction?
Drug Repurposing
Virtual Screening
Drug-Target Interaction
How to run
Download Code & Install
Download Code
First time usage: setup conda environment
Second time and later
Case Study
Package Reference
DeepPurpose.models
Classifier
Drug Target Binding Affinity (DTBA) Model
Transformer
Message Passing Neural Network (MPNN)
CNN+RNN
CNN
MLP
DeepPurpose.dataset
read_file_training_dataset_bioassay
read_file_training_dataset_drug_target_pairs
read_file_virtual_screening_drug_target_pairs
load bioarray dataset (read_file_training_dataset_bioassay)
read_file_target_sequence
download_DrugTargetCommons
process_BindingDB
load_process_DAVIS
load_process_KIBA
load_AID1706_txt_file
load_AID1706_SARS_CoV_3CL
load_antiviral_drugs
load_broad_repurposing_hub
DeepPurpose.chemutils
DeepPurpose.chemutils.onek_encoding_unk
DeepPurpose.chemutils.atom_features
DeepPurpose.chemutils.bond_features
DeepPurpose.oneliner
DeepPurpose.oneliner.repurpose
DeepPurpose.oneliner.virtual_screening
DeepPurpose.model_helper
DeepPurpose.utils
Importance Function
Drug Target Binding Affinity (DTBA) Model
Classifier
Drug Target Binding Affinity (DTBA) Model
Drug/Target Encoder
Drug encoding
Target encoding
Encoder Model
Technical Details
Transformer
Message Passing Neural Network (MPNN)
CNN+RNN
CNN
MLP
Processing Data
Drug-Target Binding Benchmark Dataset
Repurposing Dataset
Bioassay Data for COVID-19
COVID-19 Targets
read_file_training_dataset_bioassay
read_file_training_dataset_drug_target_pairs
read_file_virtual_screening_drug_target_pairs
load bioarray dataset (read_file_training_dataset_bioassay)
read_file_target_sequence
download_DrugTargetCommons
process_BindingDB
load_process_DAVIS
load_process_KIBA
load_AID1706_txt_file
load_AID1706_SARS_CoV_3CL
load_antiviral_drugs
load_broad_repurposing_hub
Configuration
Utility Function
DeepPurpose
Docs
»
DeepPurpose.model_helper
Edit on GitHub
DeepPurpose.model_helper
ΒΆ
todo
Read the Docs
v: latest
Versions
latest
stable
Downloads
pdf
html
epub
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.