| Checkpoint | Epoch | Top-1 sequence acc. | Token acc. | Tanimoto similarity |
|---|---|---|---|---|
nmrtrans-c-nmr-formula.ckpt | 9059 | 0.2551 | 0.5826 | 0.6015 |
src/test.py --features matching the input modalities.
Top-1 sequence accuracy compares RDKit-canonicalized molecules on the released 21,298-sample test split.