| # ── Core inference ──────────────────────────────── | |
| numpy>=2.0.0 # cupy 14.x (RAPIDS 25.x dep) requires numpy >= 2.0 | |
| torch>=2.1.0 | |
| transformers==4.46.0 | |
| scikit-learn>=1.3.0 | |
| lightning==2.5.5 | |
| joblib>=1.3.0 | |
| xgboost>=2.0.0 | |
| SmilesPE | |
| mapie>=0.6.0 # conformal prediction (fit_mapie_adaptive.py) | |
| tqdm | |
| pandas>=2.0.0 | |
| # ── App ──────────────────────────────────────────────────── | |
| gradio>=4.0.0 | |
| plotly>=5.14.0 | |
| seaborn | |
| rdkit>=2023.3.1 | |
| biopython>=1.81 | |
| ipython | |