Datasets
Models
| File | Size | Commit | Date |
|---|---|---|---|
| 1err | Initial commit | 2025-04-19 | |
| 2iik | Initial commit | 2025-04-19 | |
| property_models | Initial commit | 2025-04-19 | |
| .gitattributes | 4.1 kB | Initial commit | 2025-04-19 |
| README.md | 4.2 kB | Initial commit | 2025-04-19 |
| fine-tune.py | 1.4 kB | Initial commit | 2025-04-19 |
| fpscores.pkl.gz | 3.8 MB LFS | Initial commit | 2025-04-19 |
| generate_molecules.py | 4.1 kB | Initial commit | 2025-04-19 |
| models.py | 4.4 kB | Initial commit | 2025-04-19 |
| preprocess_data.py | 345 Bytes | Initial commit | 2025-04-19 |
| requirements.txt | 50 Bytes | Initial commit | 2025-04-19 |
| sascorer.py | 5.8 kB | Initial commit | 2025-04-19 |
| train_property_predictor.py | 2.2 kB | Initial commit | 2025-04-19 |
| train_vae.py | 418 Bytes | Initial commit | 2025-04-19 |
| utils.py | 9.0 kB | Initial commit | 2025-04-19 |
| vae.pt | 135.5 MB LFS | Initial commit | 2025-04-19 |
| zinc250k.smi | 11.3 MB | Initial commit | 2025-04-19 |