Tools · Computational Biology

BoltzGen

Design proteins and peptides to bind biomolecular targets

On this page

Prices, workflows, and method papers Open in the app

Run it from the API

Submit with Submit a job and the job_type below. Price it first with Estimate job reservation cost: submitting reserves that amount from your wallet, and the charge settles at the actual runtime.

BoltzGen `boltzgen`

Job type: boltzgen
Hardware: t4l4a10 (default)l40sa100-40gba100-80gbh100h200b200
Typical runtime: 1 h on Nvidia A10

Payload

Provide at least one of: boltzgen_yaml, target_type.

Payload fields
Field	Type	Description
`boltzgen_yaml`	`string`	BoltzGen design-spec YAML document (validated by boltzgen-yaml.schema.json when parsed).
`boltzgen_args`	`object`	CLI-style arguments for job_type=boltzgen (payload.boltzgen_args).
boltzgen_args.`num_designs`required	`integer`	Must be a positive integer. Limits: `> 0`
boltzgen_args.`budget`required	`integer`	Must be a positive integer. Limits: `> 0`
`target_file`	`any`
`design_chain_id`	`string`
`design_length`	`integer \| string`
`target_type`	`string`
`target_chains[]`	`string[]`
`binding_sites`	`object`
`not_binding_sites`	`object`
`ligand_ccd`	`string`

Example

from cognichem_client import CogniChem

client = CogniChem.from_env()  # reads COGNICHEM_API_KEY
payload = {
    "boltzgen_yaml": "entities:\n- protein:\n    id: Z\n    sequence: 8..12\n- ligand:\n    id: L\n    ccd: BZN\n",
    "boltzgen_args": {"num_designs": 1, "budget": 1},
}

estimate = client.jobs.estimate(job_type="boltzgen", payload=payload, resource="a10")
print(f"Reserves ${estimate.cost:.2f}")

job = client.jobs.submit(
    job_name="my-boltzgen-run",
    job_type="boltzgen",
    payload=payload,
    resource="a10",
)
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-boltzgen-run",
  "job_type": "boltzgen",
  "payload": {
    "boltzgen_yaml": "entities:\n- protein:\n    id: Z\n    sequence: 8..12\n- ligand:\n    id: L\n    ccd: BZN\n",
    "boltzgen_args": {
      "num_designs": 1,
      "budget": 1
    }
  },
  "resource": "a10"
}'

{
  "boltzgen_yaml": "entities:\n- protein:\n    id: Z\n    sequence: 8..12\n- ligand:\n    id: L\n    ccd: BZN\n",
  "boltzgen_args": {
    "num_designs": 1,
    "budget": 1
  }
}

Sample data from the job catalog; long values are shortened here. Each job_name must be unique among your jobs.

Workflow inputs

None

Workflow outputs

ArchiveZIP
StructuresPDB

Run it from the API

BoltzGen boltzgen

BoltzGen `boltzgen`