server.py

from fastapi import FastAPI
from pydantic import BaseModel

app = FastAPI()

class DockRequest(BaseModel):
    smiles: str

@app.post("/dock")
def dock(req: DockRequest):
    # placeholder — replace with real vina later
    return {
        "smiles": req.smiles,
        "binding_affinity": round(-7.5, 2)
    }