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

# C-Formula

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

| Checkpoint | Epoch | Top-1 sequence acc. | Token acc. | Tanimoto similarity |
| --- | ---: | ---: | ---: | ---: |
| `nmrtrans-c-nmr-formula.ckpt` | 8189 | 0.1813 | 0.5062 | 0.5153 |

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