.. _amlatomxacs: A-MLatom and MLatom\@XACS ========================= A-MLatom and MLatom\@XACS are the high-end versions of MLatom providing :ref:`additional features ` that are not available in :ref:`open-source ` MLatom, such as full access to the latest state-of-the-art AI models, fast and accurate methods for IR and Raman spectra, and quality-of-life improvements. These features are made available in A-MLatom & MLatom\@XACS often before they are officially published in peer-reviewed journals which are too slow to timely reflect the fast progress in AI and computational chemistry. Throughout this documentation, you will find this additional features marked as: .. include:: a-mlatom-xacs_notice.rst For many of such features, we upload preprints describing the foundations of their theoretical backgrounds. What is the difference A-MLatom and MLatom\@XACS? ------------------------------------------------- The differences between A-MLatom and MLatom\@XACS are: - A-MLatom can be purchased and installed for fully local and private use. - MLatom\@XACS can only be used at the `XACS cloud computing service `_, where generous amount of computing time is free for academic use and you can purchase :ref:`more computing time ` for heavy simulations. - MLatom\@XACS is always up-to-date while A-MLatom has to be updated locally. .. _amlatomxacs_features: Additional features at a glance ------------------------------- - :ref:`UAIQM ` -- our best offering in the universal interatomic potential models. - faster methods for IR and Raman spectra, including based on UAIQM and GFN2-xTB. - faster implementation of the DFT-based methods, including UAIQM with the DFT baselines. .. _getamlatom: How to get A-MLatom? -------------------- Please write to contact@mlatom.com with the inquiry. .. _getmlatomxacs: How to get more computing time for MLatom\@XACS calculations? ------------------------------------------------------------- Please write to xacs@xmu.edu.cn with the inquiry.