pyyaml
lightning
torch>=1.13
mordredcommunity
astartes[molecules]
tensorboard
psutil
polars
pandas
pyarrow
numpy<2.0.0

[bmark]
py2opsin

[dev]
black
isort
pytest
pytest-cov

[hopt]
ray[train]
optuna

[shap]
shap<0.45
matplotlib
