2 datasets found

Tags: ChEMBL

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  • ChEMBL Dataset

    The dataset consists of all small-molecules from the ChEMBL database that were of length 500 tokens or less.

  • ChEMBL

    The ChEMBL dataset is a large collection of bioactive molecules, with over 10 million molecules, that can be used for various machine learning tasks, including molecular design.
You can also access this registry using the API (see API Docs).