# HemoPI-MOD2 standalone — Python dependencies  (Python 3.9 or newer)
#
# scikit-learn and xgboost are PINNED on purpose. The three model files in
# models/ were fitted with scikit-learn 1.6.1, and chemical_model.pkl holds a
# serialized XGBoost regressor. Other versions usually load, but are not
# guaranteed to reproduce the published numbers.

numpy>=1.23,<2.0
pandas>=1.5
scipy>=1.9
joblib>=1.2
scikit-learn==1.6.1
xgboost==3.2.0

# Chemical (-m 2) and Structure (-m 3) models only.
# Mordred 1.2.0 needs networkx<3.
rdkit>=2022.9
mordred==1.2.0
networkx>=2.8,<3.0
