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Welcome to PandaDock Wiki

Note: For comprehensive documentation, please visit PandaDock Read the Docs

This wiki provides quick-access guides and community resources for PandaDock users.

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📚 Documentation

• Read the Docs - Complete API documentation, tutorials, and guides
• Main README - Overview, installation, and quick start
• Benchmarking Guide - Reproduce benchmark results

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🚀 Quick Links

Getting Started

• Installation Guide
• Quick Start Tutorial
• Algorithm Selection Guide

Common Tasks

• Basic Docking
• GPU-Accelerated Docking
• Flexible Docking
• Metal Coordination

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📊 Performance Highlights

Benchmarked on 150 diverse protein-ligand complexes (PDBbind v2020)

Algorithm	Success Rate	RMSD < 2Å	Mean RMSD	Runtime
enhanced_hierarchical_cpu	100%	99.3%	0.014 Å	0.30s
enhanced_hierarchical_gpu	91.3%	99.3%	0.015 Å	0.82s
cuda_genetic_algorithm	100%	99.3%	0.014 Å	35.24s

See Full Benchmark Results →

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❓ Community Resources

• FAQ - Frequently asked questions
• Troubleshooting - Common issues and solutions
• Performance Tips - Optimize your docking runs

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🐛 Getting Help

• Issues: GitHub Issues
• Discussions: GitHub Discussions
• Documentation: Read the Docs

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📖 Additional Resources

For Researchers

• Benchmarking Suite - Reproduce published results
• Citation Information

For Developers

• Contributing Guide
• API Documentation

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Last Updated: December 2025 | Version: 3.0.0