MAICoS’ Documentation#


This documentation covers everything you need to know about MAICoS, the Molecular Analysis for Interfacial and Confined Systems toolkit. There are five sections:

If you are new to MAICoS, we recommend starting with the Getting started section. If you want to contribute to the development of the library, please have a look at our developer documentation.

Getting started#

The Getting started section is for MAICoS beginners. It will help you install and familiarize yourself with MAICoS and its approach to analyse molecular dynamics simulations.

How-to guides#

The How-to guides section is for MAICoS intermediate and advanced users. It contains guides taking you through series of steps involved in addressing key problems and use-cases in MAICoS.

Reference guides#

The Reference guides section is for MAICoS intermediate and advanced users, it contains technical references and parameter list for each MAICoS modules (How-to guides) as well as the APIs. It describes the various functionalities provided by MAICoS. You can always refer to this section to learn more about classes, functions, modules, and other aspects of MAICoS machinery you may come across.


The Explanations section discusses key topics and concepts at a fairly high level and provides explanations to expand your knowledge of MAICoS. It requires at least basic to intermediate knowledge of MAICoS.

Developer documentation#

The Developer documentation helps you contributing to the code base or the documentation of MAICoS.