Demo Data

The demo dataset gives you non-empty scientific read responses on a fresh local deployment.

It includes methane, ethane, radicals, geometries, thermo, calculations, conformer data, two reactions, and kinetics. The values are illustrative only and are not suitable for publication or reuse as scientific reference data.

Load It

Start from the repository root after make up has completed:

cd backend

# Dry run first; writes nothing.
conda run -n tckdb_env python -m scripts.seed_scientific_demo_data

# Actually write the demo rows.
conda run -n tckdb_env python -m scripts.seed_scientific_demo_data --yes

Keep the API running with make api from the repository root.

What Success Looks Like

After loading the demo data, methane queries using smiles=C should return non-empty records.

curl -G "http://127.0.0.1:8010/api/v1/scientific/species/search" \
    --data-urlencode "smiles=C"

For all details, including cleanup notes and a full list of seeded tables, see Scientific read demo data.