Datasets
Models
| File | Size | Commit | Date |
|---|---|---|---|
| data | Initial commit | 2025-04-19 | |
| __init__.py | 0 Bytes | Initial commit | 2025-04-19 |
| test_datasets.py | 3.5 kB | Initial commit | 2025-04-19 |
| test_descriptors.py | 1.8 kB | Initial commit | 2025-04-19 |
| test_fingerprints.py | 33.6 kB | Initial commit | 2025-04-19 |
| test_interactions.py | 13.3 kB | Initial commit | 2025-04-19 |
| test_metrics.py | 3.0 kB | Initial commit | 2025-04-19 |
| test_models.py | 2.0 kB | Initial commit | 2025-04-19 |
| test_pandas.py | 6.9 kB | Initial commit | 2025-04-19 |
| test_rdkitfixer.py | 22.0 kB | Initial commit | 2025-04-19 |
| test_scoring.py | 10.0 kB | Initial commit | 2025-04-19 |
| test_shape.py | 6.9 kB | Initial commit | 2025-04-19 |
| test_spatial.py | 7.1 kB | Initial commit | 2025-04-19 |
| test_surface.py | 5.8 kB | Initial commit | 2025-04-19 |
| test_toolkit.py | 21.6 kB | Initial commit | 2025-04-19 |
| test_utils.py | 1.9 kB | Initial commit | 2025-04-19 |
| test_virtualscreening.py | 10.0 kB | Initial commit | 2025-04-19 |
| utils.py | 530 Bytes | Initial commit | 2025-04-19 |