fragment-based representation 1generative modeling 1molecular structure elucidation 1multi-modal learning 1spectroscopy 1
From the 1 of 2 linked papers with an AI index.
1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2026★ 1 cited
NMIRacle: Multi-modal Generative Molecular Elucidation from IR and NMR Spectra
Federico Ottomano, Yingzhen Li, Alex M. Ganose
Molecular structure elucidation from spectroscopic data is a long-standing challenge in Chemistry, traditionally requiring expert interpretation. We introduce NMIRacle, a two-stage…
cs.LG2026
Autoregressive latent diffusion for 3D molecule generation
Federico Ottomano, Gaopeng Ren, Yingzhen Li +2
Three-dimensional (3D) molecule generation has been dominated by diffusion models, which achieve strong generation quality but typically require the molecular size to be specified…