3 datasets found

Formats: JSON Tags: chemical information

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  • MoMu

    The MoMu dataset is a molecular graph-text pairs dataset, constructed from scientific articles.

  • PubChem

    The PubChem database is a comprehensive repository of chemical compounds, with each compound having a unique identifier.

  • MoleculeNet

    The MoleculeNet dataset is a collection of molecular property prediction tasks. It contains 17 datasets, each with a different type of molecular graph.
You can also access this registry using the API (see API Docs).