Transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from powder X-ray diffraction (PXRD) data. The model conditions on Q in Å⁻¹ (0–10). 2θ files are converted using wavelength (Cu Kα default).
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|---|---|---|---|---|
file.xy, .xye→file.cif | Public | 21 |
Usage
21 calls