metadata
license: mit
library_name: pytorch
tags:
- chemistry
- nmr
- structure-elucidation
- smiles
C
This repository contains the NMRTrans checkpoint for C-NMR input.
| Checkpoint | Epoch | Top-1 sequence acc. | Token acc. | Tanimoto similarity |
|---|---|---|---|---|
nmrtrans-c-nmr.ckpt |
8529 | 0.0427 | 0.3816 | 0.3296 |
Use this checkpoint with src/test.py --features matching the input modalities.