Step-by-step instructions to get started with Bioshift on Windows 10/11. Download the executable, activate your license, and start building computational chemistry workflows.
Follow these steps to install Bioshift on your system.
Bioshift includes many scientific computing engines. Here's what's included and optional.
| Tool | Description | Category |
|---|---|---|
| AutoDock Vina (CPU) | Multiple Vina versions (1.1.2, 1.2.3-1.2.7) included | Molecular Docking |
| AutoDock Vina GPU | CUDA-accelerated Vina 2.1 for high-throughput screening | Molecular Docking |
| GROMACS | Molecular dynamics engine (2025.1 included) | Molecular Dynamics |
| RDKit | Cheminformatics toolkit (integrated) | Cheminformatics |
| OpenBabel | Molecular format conversion (executables included) | Cheminformatics |
Common installation issues and their solutions.
Ensure you have administrator privileges when running Bioshift.exe. Try running as administrator.
Contact support@bioshift.space to verify your license key. Make sure to copy the entire key without spaces.
Close other memory-intensive applications. Ensure you have at least 8GB RAM available. Restart your computer if needed.
Verify NVIDIA drivers and CUDA 11.0+ are installed. Check GPU compatibility with Vina GPU in Help → System Info.
Ensure Bioshift.exe is placed in a directory with write permissions. Try running from C:\Bioshift\ or similar.
Add Bioshift.exe to Windows Security exclusions. Right-click → Properties → Unblock if available.
Excellent! Launch Bioshift with `python main.py` or `run.bat`. Continue with the quick start tutorial to create your first workflow.