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A Package for Atomistic Simulations with Machine Learning

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(p)KREG Models for Accurate Molecular Potential Energy Surfaces
WS22 database, Wigner Sampling and geometry interpolation for configurationally diverse molecular datasets
Explaining and Predicting Two-Photon Absorption with Machine Learning
Evaluating AIQM1 on Reaction Barrier Heights
Roundup of MLatom’s Year 2022. What to Expect in 2023?

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