nmr-checkpoints

This repository stores NMR-related checkpoints and lookup artifacts.

Files uploaded directly:

denovo.pth
denovo_v2.pth
search.pth
formula_to_ids_new.pkl
id_mapping.pkl

The original file embeddings_with_smiles_gaussian.lmdb is too large to store as a single object on the Hub, so it is uploaded as 20 GiB split parts under:

embeddings_with_smiles_gaussian.lmdb.parts/

To reconstruct it after download, see MERGE_EMBEDDINGS_LMDB.txt.