Accessing Workflow Results

Simmate stores the results of its workflows in dedicated database tables. These tables are organized into Simmate Apps (like vasp or quantum_espresso).

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Retrieving Results from Workflows

There are two primary ways to access the database table associated with a workflow:

Method 1: Using the Workflow Object

Every Simmate workflow has a database_table attribute that points to its result table. This is the recommended method when you're already working with a workflow object.

from simmate.workflows.static_energy import vasp_mit_workflow

# Access the associated table
results_table = vasp_mit_workflow.database_table

# Query results
latest_results = results_table.objects.all()

Method 2: Importing from the App's models

Alternatively, you can import the table directly from its Simmate App. This is the preferred method for scripts that only need to query data.

from simmate.database import connect
from simmate.database.workflow_results import StaticEnergy

# Query results
low_energy_entries = StaticEnergy.objects.filter(
    energy__lt=-1000
).all()

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Shared Result Tables

To keep your database organized, many Simmate workflows share a single result table. For example, all VASP Static Energy workflows (like vasp.mit and vasp.matproj) store their results in the same StaticEnergy table within the vasp app.

You can distinguish results from different workflows using the workflow_name or workflow_version columns:

from simmate.database.workflow_results import StaticEnergy

# Filter for only results from the MIT workflow
mit_results = StaticEnergy.objects.filter(
    workflow_name="static-energy.vasp.mit"
).all()

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Custom Result Tables

When you build a custom workflow, you can either reuse an existing Simmate table or define your own. For more details on defining new tables, see the Creating New Tables guide.