MLatom PyAPI – Dral's Group

Machine Learning in Chemistry, Method Development, News

MLatom 3 for AI-enhanced computational chemistry: JCTC paper and online tutorial

Pavlo Dral Feb 7, 2024 Tagged with AI, JCTC, ML, MLatom, MLatom PyAPI, tutorial

The capabilities of MLatom 3 are described in the paper published in the J. Chem. Theory Comput. which was converted into an interactive online manual. See also the video overview.

Machine Learning in Chemistry, News

Documentation for MLatom Python API is out!

Pavlo Dral Oct 11, 2023 Tagged with manual, MLatom, MLatom PyAPI, Python API

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.

Tag: MLatom PyAPI

MLatom 3 for AI-enhanced computational chemistry: JCTC paper and online tutorial

Documentation for MLatom Python API is out!