tqdm
loguru
joblib
filelock
fsspec>=2021.9
s3fs>=2021.9
gcsfs>=2021.9
pandas
numpy
scipy
torch
datamol>=0.8.0
pyyaml
platformdirs
matplotlib
h5py
pyarrow
pydantic
platformdirs
scikit-learn
packaging
pmapper
mordred

[all]
dgl
dgllife
graphormer-pretrained
tokenizers<0.13.2
transformers
fcd_torch
nglview
ipywidgets

[dgl]
dgl
dgllife

[fcd]
fcd_torch

[graphormer]
graphormer-pretrained

[transformer]
tokenizers<0.13.2
transformers

[viz]
nglview
ipywidgets
