pydantic>=2.0.0
pydantic-settings>=2.0.0
httpx>=0.25.0
rich>=13.0.0
typer>=0.9.0
python-dotenv>=1.0.0
jinja2>=3.1.0
aiofiles>=23.0.0
asyncio>=3.4.3
numpy>=1.24.0
pandas>=2.0.0
matplotlib>=3.7.0
plotly>=5.0.0
rdkit>=2023.9.1
pubchempy>=1.0.4
biopython>=1.81
requests>=2.31.0
beautifulsoup4>=4.12.0
lxml>=4.9.0
pyyaml>=6.0
jsonschema>=4.0.0

[dev]
pytest>=7.4.0
pytest-asyncio>=0.21.0
pytest-cov>=4.1.0
black>=23.0.0
ruff>=0.1.0
mypy>=1.5.0
pre-commit>=3.3.0
ipython>=8.14.0
jupyter>=1.0.0

[mcp]
mcp>=0.1.0
websockets>=11.0
jsonrpc>=3.0

[quantum]
psi4>=1.8.0
qcengine>=0.26.0
qcelemental>=0.25.0

[visualization]
py3dmol>=2.0.0
nglview>=3.0.0
ipywidgets>=8.0.0
