MLatom – Dral's Group

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Paper on MLatom

Pavlo DralPosted on June 20, 2019 Posted in Machine Learning in Chemistry, News No Comments

The mathematical and implementation details of the techniques available in MLatom: A Package for Atomistic Simulations with Machine Learning are reported.

Tagged with: JCC, ML, MLatom

MLatom 1.0

Pavlo DralPosted on April 19, 2019 Posted in Machine Learning in Chemistry, Method Development, News No Comments

MLatom 1.0 release of my package for atomistic simulations with machine learning is now available.

Tagged with: ML, MLatom