touchpoint_08 Feb 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. Amjad
4. Cameron

Meeting notes

• Cameron added the cif files for testing the cif reader
• CIF reader would return an openFF topology. We will then test the output of the reader by building a super cell and checking if the minimized energy is comparable for different input cif file formats for the same crystal structure
• We realized that QUantum mechanical BEspoke (QUBE) force field FF may not be exactly ported into openFF Bespoke Fit. Mike will look into the differences.
• Mike has not been able to write any code yet, but is more free now to start coding

Action Items

1. Accept Github invite - Mike, Ankit
2. Create a new user story for Bespoke FF integration with OpenFE workflow - Yilin, Kaushik
3. Remove link to BMS git from readme - Stephen