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little1d/
C-H

Name: C-H
Availability: InStock

pytorch

chemistry

nmr

structure-elucidation

smiles

mit

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C-H

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

Checkpoint	Epoch	Top-1 sequence acc.	Token acc.	Tanimoto similarity
`nmrtrans-c-h-nmr.ckpt`	7459	0.3497	0.6795	0.6944

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.

little1d/C-H

C-H

little1d/
C-H