metadata
license: mit
tags:
- chemistry
- molecular-structure
- spectroscopy
- nmr
- infrared
- smiles
- transformer
- pytorch
pipeline_tag: text-generation
NMIRacle Model Checkpoints
Model checkpoints for NMIRacle (NMr-IR orACLE), a deep learning framework for de novo molecular structure elucidation from multi-modal spectroscopic data.
Citation
@misc{ottomano2025nmiraclemultimodalgenerativemolecular,
title={NMIRacle: Multi-modal Generative Molecular Elucidation from IR and NMR Spectra},
author={Federico Ottomano and Yingzhen Li and Alex M. Ganose},
year={2025},
eprint={2512.19733},
archivePrefix={arXiv},
url={https://arxiv.org/abs/2512.19733},
}
License
MIT License