3 datasets found

Tags: drug-like molecules

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  • MOSES dataset

    The dataset used for testing the performance of the deep generative model.

  • ZINC250K

    The ZINC250K dataset is a large dataset of molecules used for molecular design and generation. It contains 250,000 molecules with their corresponding properties and structures.

  • 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.
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