2022-05-11 All-hands meeting notes

General updates

• JW – SB is now done with paid OpenFF work. The new science lead is expected to join around the end of May.

  • PB – Should we change the ff-release call to overlap with Australia?

  • JW – Yes

  • PB – I’ll send a survey for new times.

• JW - Biopolymer pre-alpha is ready for testing.

• JW – Bespokefit full release announcement coming up

Blog posts

@Diego Nolasco (Deactivated)

Benchmark: Collaborative assessment of molecular geometries and energies from the OpenFF by @Lorenzo D'Amore

Open Force Field Initiative on LinkedIn: #openff #opls #gaff #openff #sage #opls #gaff #openff #openscience… on LinkedIn

Open Force Field Initiative on Twitter / X on Twitter

• DN – Please consider sharing on your linkedin/twitter!

• DN – Upcoming blog posts will be JMaat and JSetiadi. The complete list of blog posts will be

  https://openforcefield.atlassian.net/wiki/spaces/COMMS/pages/1775796230

Work Breakdown Strutures (WBSes)

@Diego Nolasco (Deactivated)

A Work Breakdown Structure is a higher level project artifact that supports the creation of schedules and budgets. The WBS is a hierarchical decomposition of the total scope of work to be carried out by the project team to accomplish the project objectives and create the required deliverables (PMI, 2013, p. 126).

Please tell DN and JW if you have a different understanding than is shown here!

Note that these are in progress and are currently intended to be descriptive, not prescriptive. These are meant to convey a shared understanding and highlight discrepancies in our asynchronous, remote org.

• WBSes as of last all-hands: https://docs.google.com/presentation/d/1364v56gSigl4Bu2-6b1URRJeKnMhxw_SNJ9lRz7r178/edit#slide=id.p

• Current WBSes https://docs.google.com/presentation/d/1pgkQ1zuJ6Kl_7Km0tam96nyzMhFJIkPxPuQiV4P7Qis/edit#slide=id.g11fb93507bf_2_75

OpenFE updates

@Diego Nolasco (Deactivated)

• OpenFE is about to sign a funding agreement with GSK

• Boehringer Ingelheim is providing, as an in kind contribution, a part-time postdoc

• Lomap scorers have been added to the OpenFE stack

• OpenFE has joined the Protein-ligand benchmarking repo maintenance

• OpenFE is still committed with the F@H interface project

• OpenFE will do 20 minute updates every two months. I’ll invite OpenFF folks once that gets scheduled.