Documentation
Welcome to OpenDDE
OpenDDE is an open-source computational drug design platform that helps researchers explore protein drug targets, discover druggable binding pockets, analyze known compounds, and predict molecular interactions.
What can you do with OpenDDE?
- Discover binding pockets — Enter any protein and instantly see predicted druggable pockets ranked by machine learning (P2Rank)
- Explore known drugs — Browse all known bioactive compounds from ChEMBL with experimental binding data
- Predict complexes — Use AlphaFold 3 to predict how drugs bind to targets
- Analyze antibodies — Predict antibody structures with CDR loop annotation using ImmuneBuilder
- AI-powered insights — Get expert interpretation of your results from Claude AI
Who is this for?
OpenDDE is designed for:
- Academic researchers exploring new drug targets
- Pharmaceutical scientists screening targets computationally
- Students learning drug design concepts
- Biotech startups needing professional target assessment
Technology
OpenDDE runs entirely in Docker Compose on your local machine. It integrates six microservices into a single platform:
| Tool | Purpose |
|---|---|
| AlphaFold 3 | Structure prediction & complex modeling |
| P2Rank | ML-based binding pocket detection |
| ChEMBL | Bioactivity data for known compounds |
| RDKit | Cheminformatics & molecular properties |
| ImmuneBuilder | Antibody structure prediction |
| Claude AI | Scientific reasoning & analysis |
Next steps
Ready to get started? Follow the Quick start guide to have OpenDDE running in under 5 minutes.