4mo
Service Documentation
Learn how to interact with g-xTB Calculator API 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.
Getting Started
Use the Ouro SDK to retrieve service metadata and interact with the API programmatically.
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"))
service_id = "fe7bbbf4-e3cb-40ca-a720-06eae84732e9"
# Retrieve service metadata
s = ouro.services.retrieve(service_id)
print(s.name, s.visibility)
# Optionally read the OpenAPI spec
spec = ouro.services.read_spec(service_id)
print(spec.get("openapi"))
OpenAPI Specification
Download the complete OpenAPI spec for this service.
Available Endpoints
POST
/ir-spectrum/json
Calculate IR Spectrum
GET
/
Root
GET
/formats
List Supported Formats
POST
/thermochemistry/json
Calculate Thermochemistry
GET
/health
Health Check
POST
/analyze/json
Analyze Structure
g-xTB Calculator API
Version 2.0.0API for molecular calculations using g-XTB
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