MLatom – Dral's Group

Paper on MLatom

By Pavlo Dral Posted 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

By Pavlo Dral Posted 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

Tag: MLatom

Paper on MLatom

MLatom 1.0