# ── 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