volkamerlab / opencadd

A Python library for structural cheminformatics
https://opencadd.readthedocs.io
MIT License
89 stars 18 forks source link

Add examples / tutorials #21

Closed jaimergp closed 4 years ago

jaimergp commented 4 years ago

Each person (@Koesed96, @Tiggha, @anniepham7) should come up with an example for their method and add that to docs/tutorials/. Each tutorial should have the following content:

@pipaj97 will adapt this Jupyter Notebook template so it contains this outline and the rest will use that as a starting point. The resulting notebooks will be added to the docs using nbsphinx.

Check notebooks at our project TeachOpenCADD to see high-quality, user-ready notebooks look like ;)

pipaj97 commented 4 years ago

I created a new PR for the template.

pipaj97 commented 4 years ago

And maybe it is helping someone... The NGLview only works in jupyter notebook. I could not see the structures in vs code or jupyter lab.

jaimergp commented 4 years ago

Yep, for Jupyter Lab we need (yet another) plugin, because the JS backend is different. See here if you are curious (and disregard the strict version pinning, it should work now).

jaimergp commented 4 years ago

Template is now available in master under docs/tutorials! Use it for your upcoming PRs. Thanks Julian!