fastapi
uvicorn
slowapi
redis
httpx
aiohttp
biopython>=1.80  # PairwiseAligner + substitution_matrices (Bio.Align)
litellm
sentry-sdk
python-dotenv
supabase
reportlab
pydantic[email]
rdkit
numpy
openmm>=8.0  # OpenMM is on PyPI since 8.0 (pip-installable in Dockerfile and Render)
openbabel-wheel  # obabel CLI — PDBQT prep for docking (SMILES→PDBQT, PDB→PDBQT receptor)
pymol-open-source-whl>=3.2  # unofficial wheel of open-source PyMOL; provides the `pymol2` module (headless cleanup + .pse export); 3.2 line supports numpy>=2
# primer3-py>=2.0.3  (optional — requires C compiler; installed separately in Dockerfile)

# dev / testing
pytest>=7.0
httpx>=0.24