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Interpreting X-Ray Diffraction Patterns of Metal-Organic Frameworks via Generative Artificial Intelligence

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Zenodo2025-10-20 更新2026-05-26 收录
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Xrd2Mof present a crystal structure generation framework based on the Stable Diffusion architecture designed to enable intelligent, high-throughput interpretation of powder X-ray diffraction (PXRD) patterns and subsequent reconstruction of atomic-level crystal structures for metal–organic frameworks (MOFs). The database required by the Xrd2Mof project is built on the Cambridge Structural Database (CSD).

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Zenodo
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2025-06-27
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