requirements.txt

numpy~=1.23.2
pandas~=1.4.4
scipy~=1.9.1
joblib~=1.1.0
sklearn~=0.0
scikit-learn~=1.1.2
requests~=2.28.1
rdchiral~=1.1.0
rdkit~=2022.3.4
setuptools~=60.2.0
gradio~=3.3.1
Pillow~=9.2.0
matplotlib~=3.5.3
torch~=1.12.1
wandb~=0.13.2
tqdm~=4.64.1
swifter~=1.3.4