A new benchmark for machine learning applied to powder X-ray diffraction
Abstract Although crystal parameter prediction from powder X-ray diffraction has recently attracted the interest of the machine learning community, most existing datasets for this task are private and lack structural diversity. Here, we introduce the Simulated Powder X-ray Diffraction Open Database...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-025-05534-3 |
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