httpx>=0.24.0
pydantic>=2.0.0
typing-extensions>=4.0.0
aiofiles>=23.0.0
rich>=13.0.0
click>=8.0.0
PyYAML>=6.0.0
aiohttp>=3.8.0

[analysis]
numpy>=1.23
biopython>=1.80

[dev]
pytest>=7.0.0
pytest-asyncio>=0.21.0
pandas>=1.5.0
biopython>=1.80
nbformat>=5.7
jsonschema>=4.17
py3Dmol>=2.0
nbclient>=0.7
ipykernel>=6
build>=1
twine>=6

[notebooks]
jupyterlab>=4
ipykernel>=6
py3Dmol>=2.0
matplotlib>=3.6
numpy>=1.23

[sagemaker]
boto3>=1.26.0

[screening]
pandas>=1.5
