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cs.LG2026★ 1 cited
Lang2Str: Two-Stage Crystal Structure Generation with LLMs and Continuous Flow Models
Cong Liu, Chengyue Gong, Zhenyu Liu +2
Generative models hold great promise for accelerating material discovery but are often limited by their inflexible single-stage generative process in designing valid and diverse ma…
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…
cs.LG2024
Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains
Jiale Zhao, Wanru Zhuang, Jia Song +2
In recent years, there has been a surge in the development of 3D structure-based pre-trained protein models, representing a significant advancement over pre-trained protein languag…