Example Jupyter Notebook

There are several ways to see the example notebook, which you can find in the molpx/notebooks/ installation directory.

  1. Play:

    molpx has a method that will launch a working, temporary copy of the example notebook. From an IPython console, just type:

    >>>> import molpx
    >>>> molpx.example_notebook()

    A Juypter notebook should automagically appear in front of you after a few seconds. This is the most interactive and usefull way to see molpx in action, but you’ll only have access to it after downloading and installing molpx

  2. Read:

    The links you see below are an html-rendered version of the notebook. Click on them to navigate the notebook. Unfortunately for this html documentation, nglview‘s output, i.e. the pictures of molecular structures, cannot be stored currently in the notebook file. In short: the html-notebook is lacking the most visually appealing part of molpx.

  1. Watch:
    Our Youtube video or the gif animation show molpx in action.