DPAstra orbital star, wordmark, and streamed trajectory

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Molecular dynamics,
one API away.

DPAstra puts frontier MLIPs behind one Python API—DPA models first, with DPA4C OMat24 available today and more model families to follow. Bring atoms and a protocol; DPAstra streams the molecular dynamics.

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DPA-native · API-first · Built for frontier MLIPs

Growing MLIP catalog

One API for a growing frontier MLIP catalog.

Available today: the five pretrained DPA4C OMat24 sizes—nano, mini, neo, air, and plus. DPAstra will add more model families over time, keeping each qualified MLIP one call away through the same client.

Get access
  • DPA4C OMat24 · sizenano
  • DPA4C OMat24 · sizemini
  • DPA4C OMat24 · sizeneo
  • DPA4C OMat24 · sizeair
  • DPA4C OMat24 · sizeplus

Start in minutes

From email to Python in three steps.

Keep the infrastructure out of your notebook and the API in your workflow.

  1. 01

    Get your key

    Register with your email and save the private API key shown once.

    Create access →
  2. 02

    Install the client

    The Python SDK is all you need on your machine.

    pip install dpastra
  3. 03

    Connect

    Read credentials from the environment, then call the API.

    from os import environ
from dpastra import Client

with Client(environ["DPASTRA_BASE_URL"],
            api_key=environ["DPASTRA_API_KEY"]) as client:
    print([model.key for model in client.models()])

Ready when you are

Put molecular dynamics in your Python workflow.

Get your API key