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
@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