touchpoint_17 Oct 2024

Agenda

1. Housekeeping and review TODO (15 mins)
2. Review project board (30 mins)
3. Plan next week (15 mins)

Attendees

1. Mike
2. Stephen
3. Steven
4. Amjad

Meeting notes

• Gromacs simulation had an error due to code template that was used. Mike has paused this activity. To be in followed up in future
• We finalized the hackathon date for the physical one. Need to send Mike details to plan the trip
• Mike is making sure we have enough code to start a virtual hackathon. He is working on fixing up Bespoke Fit into the code base since it is a high priority. Good news is he has made some progress getting the code to run without errors. Working on CI to work for Bespoke fit. We will plan for this in a month's time.
• Mike posted a question on mAb modeling in Martini discussion board in github

Action Items

1. Send Mike address for booking hotel - Stephen

2. Find date for virtual hackathon after Oct 10 - Stephen

3. Put lit review slides in discussion board - Mike

4. Lit review on Martini CG and charge models - Amjad

5. Post question on Martini email group about modeling mABs - Waiting for answer - Mike

6. Create a new user story for Bespoke FF integration with OpenFE workflow - Yilin, Kaushik, Stephen (to follow up)

7. Work on the slides - Team

8. Run go method for test mAb - Mike

9. Follow up on temperature scale from openMM+Martini/check with Gromacs simulation - Mike