3 papers
physics.chem-ph2026
Vib2Conf: AI-driven discrimination of molecular conformations from vibrational spectra
Xin-Yu Lu, De-Yi Lin, Tong Zhu +3
Retrieving or generating two-dimensional molecular structures on the basis of vibrational spectra has been well demonstrated via deep learning models. However, deciphering three-di…
physics.chem-ph2025
Vib2Mol: from vibrational spectra to molecular structures-a unified deep learning framework
Xinyu Lu, Hao Ma, Hui Li +6
There will be a paradigm shift in chemical and biological research, to be enabled by autonomous, closed-loop, real-time self-directed decision-making experimentation. Spectrum-to-s…
q-bio.QM2023
STGIC: a graph and image convolution-based method for spatial transcriptomic clustering
Chen Zhang, Junhui Gao, Lingxin Kong +3
Spatial transcriptomic (ST) clustering employs spatial and transcription information to group spots spatially coherent and transcriptionally similar together into the same spatial…