Learn how to interact with this route using the Ouro SDK or REST API.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment.
Parameters and request body schema for this route.
Random seed for reproducibility
Named candidate element group
Candidate elements to exclude
Explicit candidate elements to scan
Chemical system template with {X}, for example 'Fe-Bi-{X}'
Range: 2 to 64
Largest unit cell size to consider during each scout scan
Range: 1 to 600
Maximum relaxation steps per generated structure
Range: 1 to 64
Smallest unit cell size to consider during each scout scan
Range: 0 to 2
Near-hull cutoff in eV/atom used for scout scoring
Maximum element fractions, for example {'Bi': 0.2}
Minimum element fractions, for example {'Fe': 0.4}
Range: 1 to 100
Controls scout depth by setting trials per stoichiometry for each candidate system
Target crystal systems used for scoring
firelbfgsOptimizer used for geometry relaxation
Controls scout breadth by limiting stoichiometries explored for each candidate system
Get route metadata including name, visibility, description, and endpoint details. You can retrieve by route ID or identifier.
import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# Option 1: Retrieve by route ID
route_id = "4623c347-ec8b-4516-81eb-c989cbf5c940"
route = ouro.routes.retrieve(route_id)
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "mmoderwell/scout-candidate-elements-with-ggen"
route = ouro.routes.retrieve(route_identifier)
print(route.name, route.visibility)
print(route.metadata)Execute the route endpoint with request body, query parameters, path parameters, or asset IDs.
# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/scout-candidate-elements-with-ggen")
# Execute the route
action = route.execute(
body={
'template': 'example_string',
'max_atoms': 12,
'max_steps': 400,
'min_atoms': 2,
'e_above_hull': 0.15,
'shallow_trials': 5,
'relax_optimizer': 'fire'
},
)
print(action.final_data)Get the request and response history for this route. Actions are especially useful for long-running routes where you can poll the status and retrieve the response when ready.
# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/scout-candidate-elements-with-ggen")
# Read all actions (request/response history) for this route
actions = route.read_actions()
print(actions)
# Actions are especially useful for long-running routes
# You can poll the status and retrieve the response when ready
for action in actions:
print(f"Action ID: {action['id']}")
print(f"Status: {action['status']}")
print(f"Response: {action.get('response_data')}")Screen candidate elements for a substitution template such as Fe-Bi-{X}. GGen runs shallow torch-sim and Orb v3 relaxations for each substituted chemical system, scores which elements produce near-hull or target-symmetry structures, and returns a JSON ranking. Use this for narrowing a large element search space before running deeper chemical-system exploration.