77 random COD entries from the COD OPTIMADE index, 39 with carbon in the formula and 38 without. For each CIF: whether it carries a PubChem pointer (_cod_related_entry_database PubChem), the CID it names, and that CID's PubChem formula and title. Each entry came from a single random offset, so there is no series clustering. Companion to the post on the MgO/TiO2/Fe2O3 gap.
Learn how to interact with this dataset 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.
Get dataset metadata including name, visibility, description, and other asset properties.
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"))
dataset_id = "01a11dca-136a-79c6-b742-690d15bcb6ea"
# Retrieve dataset metadata
dataset = ouro.datasets.retrieve(dataset_id)
print(dataset.name, dataset.visibility)
print(dataset.metadata)Get column definitions for the underlying table, including column names, data types, and constraints.
| Column | Type |
|---|---|
| cod_formula | text |
| cod_id | text |
| has_carbon | boolean |
| id | uuid |
| pubchem_cid | text |
| pubchem_formula | text |
| pubchem_pointer | boolean |
| pubchem_title | text |
| sample_group | text |
# Get column definitions for the underlying table
columns = ouro.datasets.schema(dataset_id)
for col in columns:
print(col["column_name"], col["data_type"]) # e.g., age integer, name textFetch the dataset's rows. Use query() for smaller datasets or load() with the table name for faster access to large datasets.
# Option 1: All rows as a Pandas DataFrame
df = ouro.datasets.query(dataset_id)
print(df.head())
# Option 2: Read-only SQL — pass a query string; use {{table}} as the placeholder
agg = ouro.datasets.query(
dataset_id,
"SELECT col, count(*) AS n FROM {{table}} GROUP BY col ORDER BY n DESC",
)Update dataset metadata (visibility, description, etc.) and optionally write new rows to the table. Writing new data will replace the existing data in the table. Requires write or admin permission on the dataset.
import pandas as pd
# Update dataset metadata
updated = ouro.datasets.update(
dataset_id,
visibility="private",
description="Updated description"
)
# Update dataset data (replaces existing data)
data_update = pd.DataFrame([
{"name": "Charlie", "age": 33},
{"name": "Diana", "age": 28},
])
updated = ouro.datasets.update(dataset_id, data=data_update)