Uploads
Uploads require an API key. Anonymous users can read scientific data on default deployments, but writes are authenticated.
curl -X POST "$TCKDB_BASE_URL/uploads/calculations" \
-H "X-API-Key: $TCKDB_API_KEY" \
-H "Content-Type: application/json" \
--data-binary @my_calculation_payload.json
What Gets Uploaded
TCKDB uploads are structured scientific JSON payloads. Raw Gaussian, ORCA, RMG, ARC, or other workflow files can be stored as artifacts, but the database records still need parsed scientific content:
- species and species entries
- reactions and reaction entries
- calculations and dependencies
- levels of theory
- software and workflow provenance
- geometries
- statmech, thermo, kinetics, transport, or network records
- artifact handles for raw logs or larger files
A workflow adapter is usually responsible for turning tool output into the TCKDB upload shape.