Datasets
Models
| File | Size | Commit | Date |
|---|---|---|---|
| config | Initial commit | 2025-04-19 | |
| data | Initial commit | 2025-04-19 | |
| drughive | Initial commit | 2025-04-19 | |
| img | Initial commit | 2025-04-19 | |
| .gitattributes | 4.1 kB | Initial commit | 2025-04-19 |
| .gitignore | 133 Bytes | Initial commit | 2025-04-19 |
| LICENSE | 1.9 kB | Initial commit | 2025-04-19 |
| README.md | 4.4 kB | Update README | 2025-04-30 |
| dock.py | 27.8 kB | Initial commit | 2025-04-19 |
| ff_optimize.py | 5.0 kB | Initial commit | 2025-04-19 |
| generate_molecules.py | 3.7 kB | Initial commit | 2025-04-19 |
| generate_optimize.py | 19.1 kB | Initial commit | 2025-04-19 |
| process_pdbbind_data.py | 4.1 kB | Initial commit | 2025-04-19 |
| process_zinc_dataset.py | 7.4 kB | Initial commit | 2025-04-19 |
| requirements.txt | 227 Bytes | Initial commit | 2025-04-19 |
| setup.py | 653 Bytes | Initial commit | 2025-04-19 |
| train.py | 7.7 kB | Initial commit | 2025-04-19 |