Datasets:

little1d
/

NMRTrans-Data

Tags:

chemistry

nmr

structure-elucidation

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NMRTrans-Data

This dataset repository contains the cached NMRTrans splits:

train.pkl.lz4
val.pkl.lz4
test.pkl.lz4

These files are consumed by the NMRTrans MergedDataset loader.

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Collection including little1d/NMRTrans-Data

NMRTrans

Collection

Pretrained NMRTrans checkpoints for NMR-based structure elucidation. GitHub: https://github.com/little1d/NMRTrans • 7 items • Updated 3 days ago • 1