2 papers
q-bio.BM2025
XDIP: A Curated X-ray Absorption Spectrum Dataset for Iron-Containing Proteins
Yufeng Wang, Peiyao Wang, Lu Wei +6
Earth-abundant iron is an essential metal in regulating the structure and function of proteins. This study presents the development of a comprehensive X-ray Absorption Spectroscopy…
cs.LG2025
Spectra-to-Structure and Structure-to-Spectra Inference Across the Periodic Table
Yufeng Wang, Peiyao Wang, Lu Wei +4
X-ray Absorption Spectroscopy (XAS) is a powerful technique for probing local atomic environments, yet its interpretation remains limited by the need for expert-driven analysis, co…