RamanGPT uses an ALIGNN model for structure-to-spectrum prediction and a fine-tuned LLM for spectrum-to-structure recovery on inorganic crystals, reporting specific performance numbers on held-out computational data and one experimental example.
Journal of Chemometrics , volume =
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
RamanGPT: Bidirectional Mapping Between Crystal Structures and Raman Spectra with Graph Neural Networks and Generative Transformers
RamanGPT uses an ALIGNN model for structure-to-spectrum prediction and a fine-tuned LLM for spectrum-to-structure recovery on inorganic crystals, reporting specific performance numbers on held-out computational data and one experimental example.