---
license: mit
library_name: pytorch
tags:
  - chemistry
  - nmr
  - structure-elucidation
  - smiles
---

# H-Formula

This repository contains the NMRTrans checkpoint for **H-NMR + Formula** input.

| Checkpoint | Epoch | Top-1 sequence acc. | Token acc. | Tanimoto similarity |
| --- | ---: | ---: | ---: | ---: |
| `nmrtrans-h-nmr-formula.ckpt` | 9589 | 0.3719 | 0.6673 | 0.6902 |

Use this checkpoint with `src/test.py --features` matching the input modalities.