6 datasets found

Formats: JSON

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  • QM9 and MD17

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

    The dataset used for training scalable graph foundation models (GFM) for atomistic materials modeling.
  • OC2022

    The dataset used for training scalable graph foundation models (GFM) for atomistic materials modeling.
  • OC2020

    The dataset used for training scalable graph foundation models (GFM) for atomistic materials modeling.
  • QM7-X

    The dataset used for training scalable graph foundation models (GFM) for atomistic materials modeling.
  • ANI1x

    The dataset used for training scalable graph foundation models (GFM) for atomistic materials modeling.