numpy
matplotlib
scikit-learn
networkx>=3.0
statsmodels
scipy
seaborn
bokeh
IPython
pandas>=1.3
setuptools>=64.0
huggingface_hub>=0.16.0
drawSvg~=2.0
openpyxl
glycorender[png]~=0.2.1

[all]
torch_geometric
torch
xgboost
glyles~=1.2.3a0
pubchempy
requests
py3Dmol

[chem]
glyles~=1.2.3a0
pubchempy
requests
py3Dmol

[dev]
nbdev
torch_geometric
torch
xgboost
glyles~=1.2.3a0
pubchempy
requests
py3Dmol
pytest

[ml]
torch_geometric
torch
xgboost
