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Python Script Sandbox

Short RDKit, pandas, NumPy and SciPy analyses of your results, run in isolation with no network access

Hardware and price

Price per run

What a typical run reserves from your wallet: the catalog's expected runtime on each piece of hardware × your plan's per-second rate. Larger inputs reserve more, and you're charged only for the seconds the job actually runs.

python-sandbox: reservation per run, USD
HardwareTypical runtimeBasicStarterProEnterprise
CPUDefault3 min$0.021$0.012$0.0075$0.0045

References

The method behind it.

  1. Pauli Virtanen, Ralf Gommers, Travis E. Oliphant et al. (2020). SciPy 1.0: fundamental algorithms for scientific computing in Python. Nature Methods. doi:10.1038/s41592-019-0686-2 (opens in a new tab)
  2. Charles R. Harris, K. Jarrod Millman, Stéfan J. van der Walt et al. (2020). Array programming with NumPy. Nature. doi:10.1038/s41586-020-2649-2 (opens in a new tab)
  3. Wes McKinney (2010). Data Structures for Statistical Computing in Python. Proceedings of the 9th Python in Science Conference. doi:10.25080/majora-92bf1922-00a (opens in a new tab)
  4. Greg Landrum, Paolo Tosco, Ricardo Rodriguez et al. (2026). RDKit: Open-source cheminformatics. Zenodo. doi:10.5281/zenodo.591637 (opens in a new tab)

Run via API

Submit it from your own code.

Use an API key from your account. The estimate uses your plan's rates; submitting reserves that amount from your wallet.

# Estimate the reservation for your plan (payload fields: see the API reference)
curl -X POST https://api.cognichem.com/api/v1/jobs/estimate \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Content-Type: application/json" \
  -d '{"job_type": "python-sandbox", "resource": "cpu", "payload": {}}'

# Submit (retrying with the same Idempotency-Key never submits twice)
curl -X POST https://api.cognichem.com/api/v1/jobs/submit \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Idempotency-Key: $(uuidgen)" \
  -H "Content-Type: application/json" \
  -d '{"job_name": "python-sandbox-1", "job_type": "python-sandbox", "resource": "cpu", "payload": { ... }}'
Payload fields and examples in the docs

Custom Modeling

  • MPNN Models

    Fast structure-property inference that highlights key molecule substructures

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