retrieve_calculation_molecules
Retrieve molecular data from computational chemistry calculations by providing a calculation UUID. This tool extracts and returns structured molecule information for analysis and further processing in molecular design workflows.
Instructions
Retrieve a list of molecules from a calculation.
Args: uuid: UUID of the calculation to retrieve molecules from
Returns: List of dictionaries representing the molecules in the calculation
Raises: HTTPError: If the API request fails
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| uuid | Yes | UUID of the calculation to retrieve molecules from |