scikit-learn
regex
networkx>=3.0
statsmodels
scipy
gdown
seaborn
xgboost
mpld3
pandas>=1.3
matplotlib-inline

[all]
torch_geometric
torch
CairoSVG
drawSvg~=2.0
glyles
pubchempy
requests
Pillow
openpyxl
py3Dmol
gdown

[chem]
glyles
pubchempy
requests
py3Dmol

[dev]
torch_geometric
torch
CairoSVG
drawSvg~=2.0
glyles
pubchempy
requests
Pillow
openpyxl
py3Dmol
gdown

[draw]
CairoSVG
drawSvg~=2.0
Pillow
openpyxl

[ml]
torch_geometric
torch
