Helix — Quantum Drug Safety Ecosystem

Hackathon project exploring quantum machine learning and quantum optimization for polypharmacy safety. Built by a 5-agent team against a fixed contract (CONTRACT.md).

What it does

Given a patient's current drug regimen, Helix:

1. Flags known interactions against a classical reference database.
2. Predicts novel interactions via a quantum kernel SVM over molecular fingerprints (/predict_interaction).
3. Optimizes the regimen via real QAOA on a QUBO sub-problem, honoring condition coverage and cost (/optimize_regimen).
4. Explains molecular binding via cached VQE ground-state energies (/simulate_binding).
5. Exposes a patient-facing scan UI, a clinician cockpit, and a researcher workbench across three front-ends.

Repository layout

Path	Owner	Stack
backend/	Helix Mind	FastAPI + PennyLane + Qiskit (QAOA, quantum kernel SVM, VQE cache)
web/	Helix Web	Next.js 14 — patient Scan + clinician Clinic views
forge/	Helix Forge	Streamlit — researcher workbench
data/	Data + Pitch	Reference JSONs, VQE cache, patient mocks
pitch/	Data + Pitch	Deck, demo script, architecture, Q&A
CONTRACT.md	Shared	API shape, demo scenario, scope boundaries (do not modify)
CRITIQUE.md	Devil's Advocate	Adversarial review

Local ports

• Backend: http://localhost:8000
• Web: http://localhost:3000
• Forge: http://localhost:8501

Quickstart

# Backend
cd backend
pip install -r requirements.txt
uvicorn app.main:app --reload --port 8000

# Web
cd web
npm install
npm run dev

# Forge
cd forge
pip install -r requirements.txt
streamlit run app.py

See each sub-directory's README.md for details. See CONTRACT.md for the canonical API shape and demo scenario.

Quantum honesty

• /predict_interaction runs a real PennyLane quantum kernel circuit (default.qubit, 4 qubits, AngleEmbedding) for every call.
• /optimize_regimen runs real Qiskit QAOA (StatevectorSampler, reps=2, COBYLA) on a 6-variable QUBO sub-problem.
• /simulate_binding is a cached lookup — VQE is not executed live. This is intentional and documented in app/quantum/qsim.py.

All quantum work uses free local simulators only (PennyLane default.qubit, Qiskit Aer). No IBM hardware.