README.md

---
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
@article{nmiracle2025,
  title={NMIRacle: Scalable Structure Elucidation from IR and NMR Spectra},
  author={Your Name et al.},
  journal={arXiv preprint arXiv:XXXX.XXXXX},
  year={2025}
}
```

## License

MIT License