cthoyt/chembl-downloader
Write reproducible code for getting and processing ChEMBL
This tool helps drug discovery scientists and cheminformaticians access and work with ChEMBL data. It automatically downloads and extracts the ChEMBL database (e.g., as SQLite or SDF files), letting you query chemical structures, biological activities, and target information. You get structured data like Pandas DataFrames or RDKit molecular objects, ready for analysis, without manual data handling.
No commits in the last 6 months. Available on PyPI.
Use this if you need to programmatically and reproducibly access and query the ChEMBL database for drug discovery, chemical informatics, or related research, and want to avoid manual download and setup.
Not ideal if you prefer to manually manage your ChEMBL database files or only need to browse the data interactively through the ChEMBL website.
Stars
88
Forks
14
Language
Jupyter Notebook
License
MIT
Category
Last pushed
Sep 14, 2025
Commits (30d)
0
Dependencies
5
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