Docker setup

OpenDDE uses Docker Compose to orchestrate six containers. This page covers advanced configuration, troubleshooting, and production deployment.

Container overview

Running docker compose up --build starts:

Container	Port	Health check
frontend	3000	HTTP GET /
backend	8000	HTTP GET /api/v1/health
p2rank	5001	HTTP GET /health
rdkit	5002	HTTP GET /health
immunebuilder	5003	HTTP GET /health
redis	6379	redis-cli ping

Environment variables

# .env file
SUPABASE_URL=https://your-project.supabase.co
SUPABASE_KEY=your-anon-key
ANTHROPIC_API_KEY=sk-ant-...   # Optional: enables AI assistant
ALPHAFOLD_API_KEY=...          # Optional: for complex prediction

Production deployment

Use the production compose file for deployment:

docker compose -f docker-compose.prod.yml up -d

Key differences in production:

Gunicorn with 4 Uvicorn workers (instead of single-process uvicorn)
No source code volume mounts
Internal services (P2Rank, ImmuneBuilder, RDKit) have no exposed ports
restart: unless-stopped on all services

Troubleshooting

Containers won’t start

# Check Docker is running
docker info

# View container logs
docker compose logs backend
docker compose logs p2rank

# Rebuild from scratch
docker compose down -v
docker compose up --build

Out of memory

Increase Docker Desktop memory allocation to at least 8 GB in Settings → Resources → Memory.

Port conflicts

If port 3000 or 8000 is already in use, modify the port mapping in docker-compose.yml:

ports:
  - "3001:3000"  # Map to different host port

← Back to Quick start