Predict how drugs bind to protein targets at atomic resolution
Chai-1 predicts protein-ligand, protein-protein, and antibody-antigen complex structures at atomic resolution. An open-source alternative to AlphaFold3, Chai-1 achieves a 77% success rate on the PoseBusters benchmark and supports single-sequence mode without requiring multiple sequence alignments.
/v1/complexes/chai1import requests
import time
API_KEY = "sk-sci-your-key-here"
url = "https://scirouter.ai/v1/complexes/chai1"
# Submit a complex prediction job
response = requests.post(url, json={
"protein_sequence": "MKFLILLFNILCLFPVLAADNHGVS...",
"ligand_smiles": "CC(=O)Oc1ccccc1C(=O)O"
}, headers={"Authorization": f"Bearer {API_KEY}"})
job = response.json()
print(f"Job ID: {job['job_id']}")
# Poll for results
while True:
result = requests.get(f"{url}/{job['job_id']}",
headers={"Authorization": f"Bearer {API_KEY}"})
data = result.json()
if data["status"] == "completed":
print(f"Complex PDB: {len(data['pdb'])} bytes")
print(f"Confidence: {data['confidence']:.3f}")
break
time.sleep(3)Drug-target docking and binding pose prediction
Virtual screening of compound libraries against protein targets
Antibody-antigen interaction modeling
Covalent drug design and binding mode analysis