requirements.txt

--extra-index-url https://download.pytorch.org/whl/cpu
torch==2.4.0
torch-geometric==2.6.1
rdkit
transformers==5.6.1
numpy==1.26.4
pandas==2.0.3
scipy==1.13.1
scikit-learn==1.2.1
PyYAML==6.0.2
matplotlib==3.8.4
seaborn==0.12.2
tqdm==4.67.3
Pillow==9.4.0
biopython==1.87