| # 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`. | |