SpecMol: A Spectroscopy-Grounded Foundation Model for Multi-Task Molecular Learning

ArXi:2509.21861v3 Announce Type: replace Large language models have emerged as transformative tools in molecular science, nstrating remarkable potential in molecular property prediction and de novo molecular design. However, their application to spectroscopy remains notably limited, despite its foundational role in experimental molecular characterization and structural validation. Progress in spectroscopy-grounded reasoning has been hindered by the lack of standardized spectral representations and comprehensive evaluation protocols, making cross-study comparisons difficult.