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Pinned

  1. chembl/FPSim2 chembl/FPSim2 Public

    Simple package for fast molecular similarity searches

    Python 102 17

  2. chembl/ChEMBL_Structure_Pipeline chembl/ChEMBL_Structure_Pipeline Public

    ChEMBL database structure pipelines

    Python 176 38

  3. RDKitMinimalLib.jl RDKitMinimalLib.jl Public

    RDKitMinimalLib wrapper for the Julia programming language

    Julia 24 3

  4. chembl/cbl_migrator chembl/cbl_migrator Public

    Migrates Oracle DBs to PostgreSQL, MySQL and SQLite

    Python 7 2

  5. chembl/potsim2 chembl/potsim2 Public

    PotSim2: Simple package to segment and compare protein potential grids

    Python 2

  6. chembl/chembl_multitask_model chembl/chembl_multitask_model Public

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

    Python 11 6