2 datasets found

Groups: Computational Materials Science Organizations: No Organization Formats: JSON

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  • CHGNet dataset

    The dataset used for training and testing the CHGNet model, containing energies, forces, stresses, and magnetic moments of inorganic materials.

  • Materials Project Trajectory Dataset

    The Materials Project Trajectory Dataset is a comprehensive collection of DFT calculations on inorganic materials, including energies, forces, stresses, and magnetic moments.