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nmr-checkpoints

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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.

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