mosdef-hub / mbuild_tutorials Goto Github PK

The mbuild.examples module has been removed for a few months. Some have been moved, i.e. from mbuild.lib.recipes.alkane import Alkane while others, like the tetherened nanoparticle class, are no longer in the main repo at all.

I think the following additional tutorials would be useful:

• Coordinate transformations

• Patterns

• Best Practices

We also need to complete the Lattice tutorial.

A Binder badge should be included to link users to a Binder instance where the tutorials can be run without the need to set up an environment manually. It may be worthwhile to include a separate link for each notebook as well.

These notebooks need to be updated. I got an error when trying to import mbuild and foyer.

The README should contain more detail as to what tutorials are contained within the repository and a brief one-sentence synopsis of each. More detailed instructions should also be present to lay out exactly how to run the tutorials.