catboost~=1.2.2
deepchem~=2.7.2.dev20231110055545
jax~=0.4.20
keras~=2.12.0
matplotlib~=3.8.1
numpy~=1.23.5
optuna~=3.4.0
pandas~=2.1.3
protobuf~=4.25.1
rdkit~=2023.9.1
scikit-learn~=1.3.2
scipy~=1.11.3
seaborn~=0.13.0
statsmodels~=0.14.0
torch~=2.0.0
tqdm~=4.66.1
xgboost~=2.0.2
tensorflow~=2.12.0
ipython~=8.21.0
sphinx-rtd-theme~=2.0.0
PyYAML~=6.0.1

[dev]
flake8
pytest
pytest-cov
pylint
black
isort
