requirements.txt

rdkit-pypi==2021.9.3
modlamp==4.3.0
ogb==1.3.6 
tqdm==4.63.0
h5py==3.11.0
scipy==1.9.0
numpy==1.24.4
gradio==4.43.0
fastapi==0.112.4
jinja2==3.1.4