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C-Formula
little1d/C-Formula
C-Formula is a machine learning model from little1d. Use it for the machine learning task on the model card, and read the license before you ship it in a product. It is set up for pytorch. The card lists the license as mit.
This repository contains the NMRTrans checkpoint for C-NMR + Formula input.
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Updated Aug 8, 2026
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.ckpt558 MB · 100%
At a glance
- Library
- pytorch
- License
- mit
- Access
- Public
- Created
- Jul 2, 2026
- Updated
- Aug 8, 2026
- SHA
- d1e6151d
Model card
From the Hugging Face model README
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 | 9059 | 0.2551 | 0.5826 | 0.6015 |
Use this checkpoint with src/test.py --features matching the input modalities.
Top-1 sequence accuracy compares RDKit-canonicalized molecules on the released 21,298-sample test split.
- Library
- pytorch
- License
- mit
- Created
- Jul 2, 2026
- Updated
- Aug 8, 2026