3 datasets found

Tags: graph neural networks

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  • TUDataset

    The TUDataset is a collection of benchmark datasets for learning with graphs. It contains 14 datasets, each with a different type of graph.
  • Zinc12K

    Zinc12K dataset is a subset of ZINC250k containing 12k molecules.
  • MoleculeNet

    The MoleculeNet dataset is a collection of molecular property prediction tasks. It contains 17 datasets, each with a different type of molecular graph.