boto3>=1.42.2
botocore>=1.42.2
awswrangler>=3.4.0
sagemaker<3.13,>=3.6.0
sagemaker-core<2.13,>=2.12.0
sagemaker-mlops<1.13,>=1.12.0
sagemaker-serve<1.13,>=1.12.0
sagemaker-train<1.13,>=1.12.0
redis>=5.0.1
cryptography>=46.0.0
requests>=2.26.0
aiobotocore>=3.7.0
pandas<3.0,>=2.2.1
scikit-learn>=1.5.2
xgboost>=3.0.3
joblib>=1.3.2
rdkit>=2026.3.1
mordredcommunity>=2.0.6
ipython>=8.37.0
rich>=13.0
matplotlib>=3.9.2
networkx>=3.2
anthropic[bedrock]>=0.117.0

[:sys_platform == "win32"]
pyreadline3

[all]
workbench[ui]
workbench[modeling]
workbench[misc]
workbench[dev]
workbench[docs]

[dev]
tox
pytest
pytest-sugar
pytest-xdist
coverage
pytest-cov
flake8
black
aws-cdk-lib

[docs]
mkdocs<2.0,>=1.6
mkdocs-material<10,>=9.7
mkdocstrings
mkdocstrings-python

[misc]
umap-learn>=0.5.8

[modeling]
ray[tune]
optuna
torch
chemprop>=2.3.0

[ui]
plotly>=6.5.0
dash>=4.0.0
dash-bootstrap-components>=1.6.0
dash_ag_grid>=33.3.3
