SURFMAP

from cognichem_client import CogniChem

client = CogniChem.from_env()  # reads COGNICHEM_API_KEY
payload = {
    "input_mode": "pdb",
    "tomap": "stickiness",
    "protein": {"name": "target.pdb", "content_b64": "<file contents, base64>"},
}

estimate = client.jobs.estimate(job_type="surfmap", payload=payload, resource="cpu")
print(f"Reserves ${estimate.cost:.2f}")

job = client.jobs.submit(
    job_name="my-surfmap-run",
    job_type="surfmap",
    payload=payload,
    resource="cpu",
)
status = client.jobs.wait(job.process_id)
if status.status == "completed":
    client.jobs.result(job.process_id, save_path=".")

curl -X POST "https://api.cognichem.com/api/v1/jobs/submit" \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Idempotency-Key: $(uuidgen)" \
  -H "Content-Type: application/json" \
  -d '{
  "job_name": "my-surfmap-run",
  "job_type": "surfmap",
  "payload": {
    "input_mode": "pdb",
    "tomap": "stickiness",
    "protein": {
      "name": "target.pdb",
      "content_b64": "<file contents, base64>"
    }
  },
  "resource": "cpu"
}'

{
  "input_mode": "pdb",
  "tomap": "stickiness",
  "protein": {
    "name": "target.pdb",
    "content_b64": "<file contents, base64>"
  }
}