pandas>=2.3.1
scikit-learn>=1.7.1
scipy>=1.15.3
seaborn>=0.13.2
joblib>=1.5.1
tqdm>=4.67.1
click>=8.2.1
biopython>=1.85
hydra-core==1.3.2
dimorphite-dl==2.0.2
pymol-open-source-whl==3.1.0.4
numpy==1.26.4
matplotlib>=3.10.5
rdkit>=2025.3.5
torch==2.6.0
torch-geometric==2.6.0
