metadata
license: mit
library_name: pytorch
tags:
- chemistry
- nmr
- structure-elucidation
- smiles
H
This repository contains the NMRTrans checkpoint for H-NMR input.
| Checkpoint | Epoch | Top-1 sequence acc. | Token acc. | Tanimoto similarity |
|---|---|---|---|---|
nmrtrans-h-nmr.ckpt |
7469 | 0.1994 | 0.5647 | 0.5516 |
Use this checkpoint with src/test.py --features matching the input modalities.