2023-06-15 Mitchell/Wagner Check-in meeting notes

General updates

• JW – You should review Interchange #731

  • JM – Can do

• JW – We got James Eastwood, Project-manager-and-Mobley-apprentice.

• JW – Two new folks coming on to the science team at beginning of July - One in california, other is midwest united states

• JM – Working on cookbook, which is working locally except 2 upstream issues. So I’ve been working on fixing things in nglview and myst.

  • JW – awesome. Nice work!

• JW – I met with an Amgen (new pharma partner) person on Monday and showed them your getting started docs and they were really excited.

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Trello

(Updated)

Issues and PRs

To dos

1. (high) Centralized examples (from)

   1. (high) bespokefit protein-ligand or ligand-in-water example

   2. (high) convert all examples to Sage 2.1.0

2. (medium) Toolkit docs cleanup

3. (medium) Toolkit revised user guide (+-unifying/centralizing package user guides)

4. (medium) Come up with “milestones” for making first of three videos this year (like, “first video on covid spike protein and small molecule, filmed this day, edited in that range, etc…”)

5. (medium) bibtex blocks for website “how to cite” page on

6. (low) Propose policy for using GH citation machinery

7. (low) Check main website for broken links

8. (low) Conda env yamls for each release (automated inside of Toolkit’s single-file-installer action)