How to run this route from Python with the Ouro SDK.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment. Install the SDK with pip install ouro-py.
POST /ggen/exportParameters and request body schema for this route.
Chemical system to export
Export exactly these stored structures (for example the `structure_id`s an exploration reported under `run_phases`), instead of the lowest-energy candidates in the system
triclinicmonoclinicorthorhombictetragonaltrigonalhexagonalcubicCrystal systems supported by GGen filtering and scoring.
Optional crystal systems to include
Include metadata JSON in the ZIP bundle
Range: 0 to 2
Maximum energy above hull in eV/atom
Export one CIF per distinct structure. The same crystal stored in several cell sizes (e.g. Fe2B and Fe4B2) is exported once, as its smallest cell, with the others listed in the metadata
Only export dynamically stable structures
Each run saves these to Ouro. Read them by name from action.final_data.
execute returns an action: the record of this run, with its status, response, and any assets it created.
To avoid blocking on a slow run, start it without waiting and collect the result later.
By default a failed run comes back as an action with status error. Pass raise_on_error=True to raise an exception instead.
Every run is saved as an action. List yours, or read the logs of a single run. See the Python SDK reference for everything an action carries.
# Returns as soon as the run is accepted
action = route.execute(
body={
"system": "example_string",
},
wait=False,
)
print(action.id, action.status)
# Later, even from another process
action = ouro.routes.poll_action(str(action.id), poll_interval=5, timeout=1800)
print(action.final_data)from ouro import ExternalServiceError, RouteExecutionError
try:
action = route.execute(
body={
"system": "example_string",
},
raise_on_error=True,
)
except ExternalServiceError as exc:
# The API behind this route failed
print(exc.status_code, exc.retryable)
except RouteExecutionError as exc:
print(exc.action_id, exc.status, exc.response)
except TimeoutError as exc:
# Still running on Ouro; pick it up again later
action = ouro.routes.poll_action(exc.action_id, timeout=None)import os
from ouro import Ouro
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# The ID also works, and stays the same if the route is renamed: "fed98533-98c4-490c-b875-abbd118fb09c"
route = ouro.routes.retrieve("mmoderwell/export-candidate-cifs")
action = route.execute(
body={
"system": "example_string",
},
)
print(action.status) # "success" or "error"
print(action.final_data)
# Assets the run created are keyed by output name
file = action.final_data["file"]
print(file["id"])route = ouro.routes.retrieve("mmoderwell/export-candidate-cifs")
# Your runs of this route
actions = route.read_actions()
for action in actions:
print(action.id, action.status, action.created_at)
# One run and its logs
action = ouro.routes.retrieve_action("your-action-id")
for entry in action.read_logs(chronological=True):
print(entry.level, entry.message)Export the most promising stored GGen candidates for a chemical system as CIF files. Results can be filtered by crystal system, energy above hull, and dynamical stability, making this route useful for handing selected structures to downstream simulation, review, or dataset-building workflows.
Execution
Usage
80 callsView history