.. |tutorial 1| image:: https://img.youtube.com/vi/2SCRY9YpcKQ/maxresdefault.jpg :alt: AQME CSEARCH tutorial 1 - RDKit conformer sampling using individual SMILES :width: 400 :target: https://www.youtube.com/watch?v=2SCRY9YpcKQ .. |tutorial 2| image:: https://img.youtube.com/vi/o7ZQU5sLpEc/maxresdefault.jpg :alt: AQME CSEARCH tutorial 2 - RDKit conformer sampling using databases for machine learning :width: 400 :target: https://www.youtube.com/watch?v=o7ZQU5sLpEc .. |tutorial 3| image:: https://img.youtube.com/vi/1Om_26kTh5I/maxresdefault.jpg :alt: Analysis of QM outputs with QCORR 1 - Basic processing :width: 400 :target: https://youtu.be/1Om_26kTh5I .. |tutorial 4| image:: https://img.youtube.com/vi/rg8mAMrZd-0/maxresdefault.jpg :alt: Analysis of QM outputs with QCORR 2 - Isomerization filter :width: 400 :target: https://www.youtube.com/watch?v=rg8mAMrZd-0 .. |installation| image:: https://img.youtube.com/vi/VeaBzqIZHbo/maxresdefault.jpg :alt: AQME installation in 2 min :width: 400 :target: https://www.youtube.com/watch?v=VeaBzqIZHbo .. |end-to-end1| image:: https://img.youtube.com/vi/d4mQoE8gPJw/maxresdefault.jpg :alt: AQME end-to-end workflow 1: from SMILES to QM Boltzmann populations :width: 400 :target: https://www.youtube.com/watch?v=d4mQoE8gPJw =============== Video tutorials =============== AQME installation ----------------- |installation| AQME CSEARCH tutorial 1 ----------------------- RDKit conformer sampling using individual SMILES ++++++++++++++++++++++++++++++++++++++++++++++++ |tutorial 1| AQME CSEARCH tutorial 2 ----------------------- RDKit conformer sampling using databases for machine learning +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ |tutorial 2| AQME QCORR tutorial 1 --------------------- Analysis of QM output files +++++++++++++++++++++++++++ |tutorial 3| AQME QCORR tutorial 2 --------------------- Analysis including the isomerization filter +++++++++++++++++++++++++++++++++++++++++++ |tutorial 4| AQME workflow tutorial ---------------------- AQME end-to-end workflow 1: from SMILES to QM Boltzmann populations +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ |end-to-end1|