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Chemical

  • chembl_downloader: A Python package designed to automatically download and extract versions of the ChemBL database, simplifying data access for research purposes.
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  • chembl_tools: A collection of scripts to leverage the ChemBL API for retrieving information on compounds, including ChEMBL IDs and target information.
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  • drugbank-downloader:
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  • Papyrus: Collection of scripts to interact with the Papyrus bioactivity dataset.
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  • pubchempy:
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Protein-ligand interaction

  • CPIExtract: CPIExtract: A software package to collect and harmonize small molecule and protein interactions
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