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Releases: Bin-Cao/XQueryer

RRUFFdb file

12 May 14:10
@Bin-Cao Bin-Cao
V_rruff_0.1
0a544da
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RRUFFdb file Latest
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The release includes the RRUFF database (rruff.db) used in this study, containing both crystal structures and corresponding experimental diffraction patterns.

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Alex-MP-20 dataset

16 Mar 09:19
@Bin-Cao Bin-Cao
V_data_0.01
e6e9d64
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Alex-MP-20 dataset

The training data used in this project is a processed version of the Alex-MP-20 dataset, with custom training, validation, and testing splits created for the Open Materials Generation (OMatG) crystal structure prediction model.

If you use this dataset, please cite the original source: https://huggingface.co/datasets/OMatG/Alex-MP-20

Full Changelog: https://github.com/Bin-Cao/XQueryer/commits/V_data_0.01

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