Note: For PBE we are in the process of providing a precomputed energy_corrected scheme based on Materials Project 2020 Compatibility Scheme Motivation: check out the blog post https://huggingface.co/blog/lematerial to hear more about the motivation behind the creation of our datasets.

Download and use within Python

from datasets import load_dataset

dataset = load_dataset('LeMaterial/LeMat-Traj', 'compatible_pbe')

	Data fields

Feature name Data type Description… See the full description on the dataset page: https://huggingface.co/datasets/LeMaterial/LeMat-Traj.