release – Page 2

MLatom 3.1.1 is released

By Fuchun Ge Posted on January 19, 2024 Posted in News No Comments Tagged with ML, MLatom, release

We have released the version 3.1.1 of MLatom with improvements in the performance and bug fixes.

Bringing the power of equivariant NN potential through the interface of MACE to MLatom@XACS

By Fuchun Ge Posted on January 10, 2024 Posted in News No Comments Tagged with manual, MLatom, MLP, PES, release

Equivariant potentials are the (relatively) new kid on the block with promising high accuracy in published benchmarks. One of them is MACE which we now added to the zoo of machine learning potentials available through the interfaces in MLatom. See …

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MLatom 3.1.0 is released

By Fuchun Ge Posted on January 3, 2024 Posted in News No Comments Tagged with MLatom, release

We have released the version 3.1.0 of MLatom with new interface to MACE, one of state-of-the-art machine learning potentials that feature equivariant message passing neural networks.

MLatom 3.0.1 is released

By Fuchun Ge Posted on November 16, 2023 Posted in News No Comments Tagged with MLatom, release

We have released the version 3.0.1 of MLatom with minor upgrades that improve the stability and user experience. In this update, we fixed some bugs in the previous version. Also, we included the docstrings in the code, which might be …

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MLatom 3: 10-year anniversary edition is released!

By Pavlo Dral Posted on September 22, 2023 Posted in News No Comments Tagged with manual, MLatom, release

We are happy to announce that on the occasion of its ten-year anniversary, we have released on September 12 a brand new MLatom 3 with tons of new features including more simulation options, Python API for user-customized workflows, and its …

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