2021-09-02 Mitchell/Wagner Check in

General updates

• JW – Nothing from me

• JM – Nothing from me

PR reviews

• 1001 – Merged (spurious/OMM7.6 CI failures)

• 979 – Merged by Jeff (spurious CI failures)

• 1062 – Approved, needs releasehistory update. JW made JM an admin so he can merge with spurious status failures.

Next to-dos

• Update examples to use openff-2.0.0

  • lint notebooks + regenerate output

  • Already on JM’s to do list, will do this next

• Nominate redundant examples for deletion

• Matt's waiting to hear that new theme is good

  • JM – It should be good to go. I think I told Simon, but haven’t looped Matt in yet. I’ll catch up on this conversation and follow up.

• Matt says RDKit vis PR is good to go (979 merged above)

Colab integration with OMM examples

• JM – I’m working on a way to have OpenMM’s notebook examples get condacolab initialization preprended to them so they’re suitable for immediate execution. Eg the top right link on https://yoshanuikabundi.github.io/openmm-cookbook/dev/notebooks/Analyzing%20Energy%20Contributions.html