https://pubs.acs.org/doi/10.1021/jacs.4c10244
Riesel, E. A., Mackey, T., Nilforoshan, H., Xu, M., Badding, C. K., Altman, A. B., Leskovec, J., & Freedman, D. E. (2024). Crystal Structure Determination from Powder Diffraction Patterns with Generative Machine Learning. Journal of the American Chemical Society. https://doi.org/10.1021/jacs.4c10244
seems to use a form of “steered diffusion” to match the powder pattern
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