Report the best structures known for a chemical system across the whole GGen database, published and generated alike. Where an exploration reports what a single run produced, this reports the current state of a system: its hull, how much of it comes from published data versus GGen, which phases are new, and CIFs for the leading candidates.
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/reportParameters and request body schema for this route.
Chemical system to report
Include stability breakdown
Filter by space group number or symbol
Return stable and near-hull structures
Return structures on hull and dynamically stable
Range: 0 to 2
Energy above hull cutoff in eV/atom
triclinicmonoclinicorthorhombictetragonaltrigonalhexagonalcubicCrystal systems supported by GGen filtering and scoring.
Include an interactive phase diagram in the report
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: "d10241ae-e66b-49a9-b8bf-ca1af66b8803"
route = ouro.routes.retrieve("mmoderwell/generate-a-ggen-system-report")
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
report = action.final_data["report"]
print(report["id"])route = ouro.routes.retrieve("mmoderwell/generate-a-ggen-system-report")
# 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)Execution
Usage
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