Documentation for MLatom Python API is out!

The new MLatom 3 release comes with the versatile Python API. We are happy to announce the release of its documentation which is available at http://mlatom.com/docs.

You can rewatch the release broadcast video overviewing the capabilities of new MLatom with examples of the Python API use on Youtube:

The new manual comes with the Get started tutorial showing side-by-side how to use MLatom in command line and in Python. It provides an idea how to use MLatom’s Python API for typical simulations.Stay tuned for more tutorials!

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In meantime, you can join our XACS Support Slack workspace for faster communications and send us your inquiries via email (dral at xmu.edu.cn).For Chinese users, we also have both the XACS WeChat official channel which you can follow and the user group (send an inquiry to xacs at xmu.edu.cn).You can also follow our social media accounts for more news and updates about MLatom and many other related topics:

• Facebook group for XACS: https://www.facebook.com/groups/xacscloud & https://www.facebook.com/mlchem (ML in chemistry).Twitter/X: https://twitter.com/XACSprogram (XACS) & https://twitter.com/@smlqc1smlqc (ML in quantum chemistry) & https://twitter.com/pavlodral (Pavlo Dral’s account).Youtube: https://www.youtube.com/@xacscloud (XACS) and https://www.youtube.com/@mlqc (ML in quantum chemistry channel).