Choose, take the leap and make use of MQS tools.

Release of MQSDK

We are releasing the SDK based on the initial feedback we have received via:

• the LinkedIn MQS Community group,
• our customers’ feedback,
• and via the feedback form within the MQS Dashboard.

When subscribing to the Quantum Tier, you can request access to our SDK which is provided as a gitlab repository.

We have also made some improvements regarding the application programming interface (API) which we are summarizing in the next section before moving to the SDK presentation.

Application Programming Interface

The following improvements have been implemented:

• The search has been improved by ranking molecules better based on their identifiers (e.g. SMILES, formula).
• Now one can define how many molecules should be returned with an exact number. This improvement refers to the GET /search endpoint.
• The query parameters for the GET /search endpoint are now:

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    q

    - the keyword to search for (required)

    start

    - offset of the first result to return (default: 0)

    limit

    - number of results to return (default: 50)

You can find the current documentation of the MQS API also under the respective tab within the Dashboard:

Documentation page of the API within the Dashboard.

Software Development Kit

The SDK allows you to work in a more simplified way to integrate the MQS tool stack with your own coding projects or software in comparison to the bare bone MQS REST-API interface. Further, it will allow us to help you by providing some neat functionalities you wish for.

The Python SDK provides currently an additional layer for working with the API by improving the ease of use of the API with tailored functions.

As an example of what the SDK provides here the authentication and search functions in use from the SDK after importing mqsdk and setting up a session:

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import mqsdk
session = mqsdk.Session("<email address>", "<password>")
results = session.data.search("aspirin", start=0, limit=10)
print(results)

There are many more utility functions you can make use of and the SDK will be updated with the feedback we retrieve.

Please request access to the SDK by writing to contact(at)mqs.dk or via the feedback form in the Dashboard. You need to have subscribed to the Quantum Tier for getting granted MQSDK access.