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PandaDock v3.0.0
Major release with comprehensive new features:
New Features
- 10+ docking algorithms (5 CPU + 5 GPU variants)
- 6 scoring functions including ML-enhanced hybrid scoring
- 4 specialized docking modes (flexible, metal, ML, tethered)
- GPU acceleration with 50-200x speedup
- Comprehensive documentation
Installation
pip install pandadock
Full Changelog: https://github.com/pritampanda15/PandaDock/commits/v3.0.0-latest