---
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

```bibtex
@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