3 datasets found

Formats: JSON Tags: QM9

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  • QM9 and MD17

    The dataset used in this paper is QM9 and MD17, which are computational chemistry datasets.

  • QM9 and ZINC datasets

    The QM9 and ZINC datasets are used for molecule generation. The QM9 dataset contains ∼134,000 organic molecules with at most 9 atoms, and the ZINC dataset includes 250,000...

  • QM9

    A dataset of small molecules for benchmarking molecule generation methods. The dataset consists of fingerprints of the molecules, and the goal is to predict the original...
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