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  1. chembl_webresource_client Public

    Official Python client for accessing ChEMBL API

    Python 392 95

  2. ChEMBL_Structure_Pipeline Public

    ChEMBL database structure pipelines

    Python 198 37

  3. FPSim2 Public

    Simple package for fast molecular similarity searches

    Python 126 21

  4. GLaDOS Public

    Web Interface for ChEMBL @ EMBL-EBI

    JavaScript 51 8

  5. tractability_pipeline_v2 Public

    Pipeline for assessing the tractability of potential targets (starting from Gene IDs)

    Python 22 8

  6. chembl_multitask_model Public

    Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS

    Python 16 10

Repositories

Showing 10 of 72 repositories
  • GLaDOS-docs Public

    Repository for storing the source files of the new interface documentation. https://chembl.gitbook.io/chembl-interface-documentation/

    8 3 0 0 Updated Mar 18, 2025
  • chembl_multitask_model Public

    Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS

    Python 16 MIT 10 0 0 Updated Feb 26, 2025
  • EnsembleFlex Public

    EnsembleFlex - Flexibility Analysis of Structure Ensembles

    Python 1 MIT 0 0 0 Updated Feb 21, 2025
  • libRDChEBI Public
    Python 0 MIT 1 2 0 Updated Feb 20, 2025
  • tractability_pipeline_v2 Public

    Pipeline for assessing the tractability of potential targets (starting from Gene IDs)

    Python 22 MIT 8 0 2 Updated Feb 9, 2025
  • FPSim2 Public

    Simple package for fast molecular similarity searches

    Python 126 MIT 21 0 0 Updated Jan 30, 2025
  • chembl_webresource_client Public

    Official Python client for accessing ChEMBL API

    Python 392 95 25 2 Updated Jan 26, 2025
  • cbl_migrator Public

    Migrates Oracle DBs to PostgreSQL, MySQL and SQLite

    Python 7 MIT 2 0 0 Updated Jan 19, 2025
  • potsim2 Public

    PotSim2: Simple package to segment and compare protein potential grids

    Python 2 MIT 1 0 0 Updated Jan 15, 2025
  • ChEMBL_Structure_Pipeline Public

    ChEMBL database structure pipelines

    Python 198 MIT 37 5 2 Updated Sep 3, 2024

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