Installation Install the SDK using pip:
pip (Recommended)
uv
From Source
Get Your API Key
Sign up or log in at app.boltz.bio
Navigate to Settings → API Keys
Click Generate New Key
Copy your key (format: sk-...)
Keep your API key secure!
Choose Your Interface Perfect for quick predictions and testing. boltz-api config --api-key "sk-..."
2. Create a Job File Save this as affinity.yaml. sequences : - protein : id : [ "A" ] sequence : "MVTPEGNVSLVDESLLVGVTDEDRAVRSAHQFYER..." modifications : [] - ligand : id : [ "B" ] smiles : "N[C@@H](Cc1ccc(O)cc1)C(=O)O" constraints : [] properties : - affinity : binder : "B"
Full details on input formats are in the Input Formats section. 3. Run Your Prediction # Default behavior: downloads into the current directory (.) boltz-api predict affinity.yaml # Or pick an output directory boltz-api predict affinity.yaml --output ./results
That’s it! The CLI will:
Submit your job
Wait for completion (unless you use --no-wait)
Download results (by default into the current directory)
Use --no-wait to submit without waiting, or --format json for JSON output.
Perfect for integration into workflows and applications. 1. Set Environment Variable export BOLTZ_API_KEY = "sk-..."
2. Create Your Script import asyncio from boltz_api import BoltzPlatformClient async def main (): # Initialize client (uses BOLTZ_API_KEY env var or config file) async with BoltzPlatformClient() as client: # Submit job from YAML file job = await client.submit_job_from_yaml( "affinity.yaml" ) print ( f "Job submitted: { job.prediction_id } " ) # Wait for completion await job.wait_for_completion() # Download results (creates directory if needed) path = await job.download_results( "results/" ) print ( f "Results downloaded to: { path } " ) asyncio.run(main())
3. Run Your Script For URL-based jobs: await client.submit_job_from_yaml("https://example.com/job.yaml")
Protein-Ligand Affinity sequences : - protein : id : [ "A" ] sequence : "MVTPEGNVSLVDESLLVGVTDEDRAVRSAHQFYERLIGLWAPAVMEAAHELGVFAALAEAPADSGE..." modifications : [] - ligand : id : [ "B" ] smiles : "N[C@@H](Cc1ccc(O)cc1)C(=O)O" constraints : [] properties : - affinity : binder : "B"
RNA-Protein Complex sequences : - protein : id : [ "A" ] sequence : "MPRGKLHKFLKRHKILNKQRELLQALEGFKQHFSKHEILLSPLGEEMRDRARAHLLKKVQK..." modifications : [] - rna : id : [ "B" ] sequence : "GCGCAACGCGAACGCCACGCGGAACCGGCAACGGCAACG" modifications : [] constraints : []
Next Steps Troubleshooting
ImportError: No module named 'boltz_api'
Solution : Make sure the SDK is installed:
Solution : Check your API key is set correctly:echo $BOLTZ_API_KEY # or boltz-api config --show
Solution : Check your network connection and API endpoint:boltz-api config --show # Verify endpoint is correct
