| # Model artifacts |
|
|
| The release includes every local checkpoint needed by the submitted PDC generation code. Run |
| `python scripts/verify_release.py` to verify byte counts, SHA-256 hashes, and private-path hygiene. |
| The machine-readable manifest is in `docs/artifacts.json`. |
|
|
| | Artifact | Purpose | Size | SHA-256 | |
| |---|---|---:|---| |
| | `checkpoints/SMILESReDi_base.ckpt` | SMILES generator | 1,038,182,356 B | `8b2a6049e7ce6c2ef2ab0da0987ee14a5c7e3df737c5c32202631f5c230a81df` | |
| | `checkpoints/PepReDi_base.pt` | natural-AA generator | 344,474,053 B | `3b6437edee514bd7adb9aacea776f3dd97c59ebc7b4928b390eafdd87eaeb8c9` | |
| | `checkpoints/UAAReDi_base.pt` | UAA generator | 344,824,232 B | `fa9c25692f308e87befee15cecdd4a24d9e2270e039b12d073023390632b2a8d` | |
| | `smiles/scoring/checkpoints/binding-affinity.pt` | SMILES binding scorer | 132,489,414 B | `8daf2ce5ec84045e94bbe41b0a57669287ac937a2a51e97da1af36ae8dc5e16f` | |
| | `smiles/scoring/checkpoints/hemolysis-xgboost.json` | hemolysis scorer | 1,932,561 B | `69552199fa7722369211aa0e33adc9850816fb816f555ce9e207c73e0543b0ee` | |
| | `smiles/scoring/checkpoints/nonfouling-xgboost.json` | non-fouling scorer | 645,478 B | `08364879c255e236cf0a337505e99e36824f1a72090f5829d3f7870d4ca11644` | |
| | `smiles/scoring/checkpoints/solubility-xgboost.json` | solubility scorer | 196,887 B | `3c6a534db85550c947d864aa5cf0b1a2862333bc50eb4b6d5053074cc7d66f02` | |
|
|
| ESM-2 (`facebook/esm2_t33_650M_UR50D`) and PeptideCLM |
| (`aaronfeller/PeptideCLM-23M-all`) are downloaded from Hugging Face on first use and therefore are |
| not duplicated here. |
|
|
| The optional AA-input binding predictor was not used for the reported PDC runs, which used |
| `--affinity_type smiles`, and is intentionally excluded (it would add about 2.7 GB). The public |
| wrapper passes the reported SMILES-input setting explicitly. |
|
|
| When publishing with `hf upload`, the Hugging Face Hub client handles large-file storage. If this |
| release is mirrored to a Git LFS remote: |
|
|
| ```bash |
| git lfs install |
| git lfs track "*.pt" "*.ckpt" |
| git add .gitattributes checkpoints smiles/scoring/checkpoints |
| ``` |
|
|
