DeepPurpose Logo

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 »
  • Search

© Copyright 2020, Kexin Huang, Tianfan Fu

Built with Sphinx using a theme provided by Read the Docs.