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LeMaterial/LeMat-Traj

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… See the full description on the dataset page: https://huggingface.co/datasets/LeMaterial/LeMat-Traj.

Author / organizationLeMaterial
License (as declared)cc-by-4.0
Downloads2.9K (as reported by Hugging Face)
Likes7
Created10 April 2025
Last updated at source15 May 2025
materialschemistrytrajectories
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  • 16 Oct 2026 Description: 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 mo → 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 mo

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