Rosetta is the world's leading software suite for macromolecular modeling. It powers breakthroughs in protein design, docking, and structure prediction, enabling the creation of new therapeutics and materials.
Note
Antigravity Hydrated Fork This repository is a verified hydration of the core Rosetta framework.
Tip
Use WSL: Rosetta's build system (SCons) is highly optimized for Linux environments. For the smoothest experience on Windows, we strongly recommend using WSL (Ubuntu).
See WSL_README.md for detailed technical optimizations and troubleshooting.
We provide a robust helper script that handles dependencies and common WSL git locking issues automatically:
# Run the robust build assistant
./build_wsl.shThis script will:
- Check/Install system dependencies (
build-essential,zlib1g-dev,python3). - Update submodules (with auto-fallback to serial mode if WSL file locking occurs).
- Configure and run SCons for a Release build.
- Ab Initio Folding: Predict structures from sequence alone.
- Ligand Docking: Model small molecule interactions.
- Protein Design: Engineer new proteins with specific functions.
Please see CONTRIBUTING.md for details on the Antigravity workflow.
Rosetta uses a Factory Pattern for its Movers (algorithms that alter a pose).
- Core: Basic chemical physics libraries.
- Protocols: High-level algorithms (Docking, Design).
Rosetta is free for non-commercial use. Commercial use requires a license. See LICENSE for details.