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  1. chembl_webresource_clientchembl_webresource_clientPublic

    Official Python client for accessing ChEMBL API

    Python 449 105

  2. ChEMBL_Structure_PipelineChEMBL_Structure_PipelinePublic

    ChEMBL database structure pipelines

    Python 246 43

  3. FPSim2FPSim2Public

    Simple package for fast molecular similarity searches

    Python 177 24

  4. tractability_pipeline_v2tractability_pipeline_v2Public

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

    Python 30 9

  5. chembl_multitask_modelchembl_multitask_modelPublic

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

    Python 22 11

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