from kgcnn.data.datasets.MatBenchDataset2020 import MatBenchDataset2020
[docs]class MatProjectDielectricDataset(MatBenchDataset2020):
"""Store and process :obj:`MatProjectDielectricDataset` from `MatBench <https://matbench.materialsproject.org/>`__
database. Name within Matbench: 'matbench_dielectric'.
Matbench test dataset for predicting refractive index from structure. Adapted from Materials Project database.
Removed entries having a formation energy (or energy above the convex hull) more than 150meV and
those having refractive indices less than 1 and those containing noble gases. Retrieved April 2, 2019.
For benchmarking w/ nested cross validation, the order of the dataset must be identical to the retrieved data;
refer to the Automatminer/Matbench publication for more details.
* Number of samples: 4764
* Task type: regression
* Input type: structure
"""
[docs] def __init__(self, reload=False, verbose: int = 10):
r"""Initialize 'matbench_mp_e_form' dataset.
Args:
reload (bool): Whether to reload the data and make new dataset. Default is False.
verbose (int): Print progress or info for processing where 60=silent. Default is 10.
"""
# Use default base class init()
super(MatProjectDielectricDataset, self).__init__("matbench_dielectric", reload=reload, verbose=verbose)
self.label_names = "n_r"
self.label_units = ""