Example Code

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JoostFWMaas edited this page May 28, 2026 · 13 revisions

Example Code

Examples will be listed here

How to install and get started
How to generate a molecule footprint
How to run a simulation, with examples of the various modes
...

How to install

The easiest way to install adsorpy is via

pip install adsorpy

You can download a specific version by setting

pip install adsorpy==[version number]

but we recommend using the latest (stable) version. Upgrading can be done via

pip install -U adsorpy

This wiki is intended as a community project. Would you like to help us make it grow? We appreciate it!

Copyright © 2025-2026 Contributors to the AdsorPy project.

SPDX-License-Identifier: MIT