ED-CSP generates lattice parameters and atomic coordinates from multi-view electron diffraction spot lists, achieving 57.49 percent MR@5 on held-out CHILI-100K materials and 66.27 percent with larger pretraining.
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ED-CSP: Crystal Structure Prediction from Electron Diffraction
ED-CSP generates lattice parameters and atomic coordinates from multi-view electron diffraction spot lists, achieving 57.49 percent MR@5 on held-out CHILI-100K materials and 66.27 percent with larger pretraining.