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cond-mat.mtrl-sci2025★ 1 cited
XDXD: End-to-end crystal structure determination with low resolution X-ray diffraction
Jiale Zhao, Cong Liu, Yuxuan Zhang +4
Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resoluti…
cs.LG2025
pUniFind: a unified large pre-trained deep learning model pushing the limit of mass spectra interpretation
Jiale Zhao, Pengzhi Mao, Kaifei Wang +12
Deep learning has advanced mass spectrometry data interpretation, yet most models remain feature extractors rather than unified scoring frameworks. We present pUniFind, the first l…