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Tag: MLatom PyAPI

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

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 …

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

Documentation for MLatom Python API is out!

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 …

Documentation for MLatom Python API is out! Read more →

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