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@chembl

Chemical Biology Services @ EMBL-EBI

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  1. chembl_webresource_client chembl_webresource_client Public

    Official Python client for accessing ChEMBL API

    Python 415 97

  2. ChEMBL_Structure_Pipeline ChEMBL_Structure_Pipeline Public

    ChEMBL database structure pipelines

    Python 218 41

  3. FPSim2 FPSim2 Public

    Simple package for fast molecular similarity searches

    Python 148 22

  4. GLaDOS GLaDOS Public

    Web Interface for ChEMBL @ EMBL-EBI

    JavaScript 51 8

  5. tractability_pipeline_v2 tractability_pipeline_v2 Public

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

    Python 27 9

  6. chembl_multitask_model chembl_multitask_model Public

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

    Python 18 10

Repositories

Showing 10 of 75 repositories
  • cbl_migrator Public

    Migrates Oracle DBs to PostgreSQL, MySQL and SQLite

    chembl/cbl_migrator’s past year of commit activity
    Python 7 MIT 2 0 0 Updated Sep 6, 2025
  • FPSim2 Public

    Simple package for fast molecular similarity searches

    chembl/FPSim2’s past year of commit activity
    Python 148 MIT 22 1 0 Updated Sep 6, 2025
  • GLaDOS-docs Public

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

    chembl/GLaDOS-docs’s past year of commit activity
    9 4 0 1 Updated Sep 5, 2025
  • ChEMBL_Structure_Pipeline Public

    ChEMBL database structure pipelines

    chembl/ChEMBL_Structure_Pipeline’s past year of commit activity
    Python 218 MIT 41 5 5 Updated Sep 4, 2025
  • chembl_multitask_model Public

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

    chembl/chembl_multitask_model’s past year of commit activity
    Python 18 MIT 10 1 0 Updated Sep 3, 2025
  • chembl-pk-parameter-regex Public
    chembl/chembl-pk-parameter-regex’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Aug 22, 2025
  • libRDChEBI Public
    chembl/libRDChEBI’s past year of commit activity
    Python 0 MIT 2 2 1 Updated Aug 11, 2025
  • chembl_assay_annotation Public
    chembl/chembl_assay_annotation’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Aug 5, 2025
  • presentations Public

    Public repository sharing the public presentations (talks, posters, articles etc) produced by the Chemical Biology Services

    chembl/presentations’s past year of commit activity
    1 0 0 0 Updated Jul 21, 2025
  • compound_target_pairs_dataset Public

    Automatic extraction of interacting compound-target pairs from ChEMBL.

    chembl/compound_target_pairs_dataset’s past year of commit activity
    Python 17 Apache-2.0 1 0 0 Updated Jun 5, 2025
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