Microservices

OpenDDE runs three computational microservices alongside the main backend. Each is a lightweight HTTP server wrapping a specialized tool.

P2Rank service

P2Rank is a machine-learning tool for predicting ligand-binding sites. The service accepts a protein structure file (CIF/PDB) and returns ranked pockets with scores and residue lists.

# Internal API
POST http://p2rank:5001/predict
Content-Type: multipart/form-data
Body: structure=@protein.cif

RDKit service

Handles all cheminformatics: molecular property calculation, SMILES validation, 2D depiction, fingerprint computation, and similarity calculations.

ImmuneBuilder service

Predicts antibody 3D structures from amino acid sequences. Includes CDR loop annotation and confidence scoring.

Health checks

All services expose a GET /health endpoint. Docker Compose uses these to ensure services are ready before accepting requests:

healthcheck:
  test: ["CMD", "curl", "-f", "http://localhost:5001/health"]
  interval: 30s
  timeout: 10s
  retries: 3

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