pandas==1.4.1
pickle5
mendeleev==0.9.0
black==22.1.0
isort==5.10.1
flake8==4.0.1
giotto-tda==0.5.1
networkx==2.7.1
torch==1.11.0
torchvision==0.12.0
azureml-core
matplotlib==3.5.1
umap-learn==0.5.2
tqdm==4.63.1
scipy==1.8.0
pytorch_metric_learning==1.3.0
rdkit-pypi==2022.03.2
