2021-06-02 Wagner/Mitchell Check-in

To discuss today

• Review

  • JW reviewed+approved

• Review

  • JW reviewed +approved

• Docs theme change?

  • Red python links are jarring

  • Could incorporate openFF blue?

  • The hierarchy is listed at the top of each page in a dropdown that nobody has ever used.

  • JM – Could fork the material theme and put in better colors and fonts (eg from the openff website/branding materials)

  • JW – This could be cool, but I’m not sure that it’s worth the effort before we ave more of the examples/docs cleaned up. So let’s loop in Simon and Matt and see if they’re very positive about doing this immediately.

JW’s list of things to tell JM

• Next we should fix the QCArchive example – Can we bring in Pavan or someone else to talk about getting molecules from QCArchive?

  • JM will study qcarchive example and try to figure out what’s going on

  • JW will contact Pavan and see if he can show off some cool things to do with QCArchive, to use as a basis for a new example

• Look at Topology.from_openmm because it's very useful for loading things from PDB -- Could this go in an example?

• Link to binder landing page on OFF website

• Update examples readme with showcase