Datasets
Models
| File | Size | Commit | Date |
|---|---|---|---|
| .idea | Initial commit | 2025-04-19 | |
| data | Initial commit | 2025-04-19 | |
| figures | Initial commit | 2025-04-19 | |
| models | Initial commit | 2025-04-19 | |
| utils | Initial commit | 2025-04-19 | |
| .gitattributes | 4.1 kB | Initial commit | 2025-04-19 |
| LICENSE | 1.1 kB | Initial commit | 2025-04-19 |
| README.md | 8.9 kB | Update README | 2025-04-30 |
| dataset.py | 10.2 kB | Initial commit | 2025-04-19 |
| designer.py | 2.9 kB | Initial commit | 2025-04-19 |
| environ.py | 19.6 kB | Initial commit | 2025-04-19 |
| plot.py | 10.2 kB | Initial commit | 2025-04-19 |
| train_graph.py | 3.2 kB | Initial commit | 2025-04-19 |
| train_smiles.py | 4.0 kB | Initial commit | 2025-04-19 |