2022-01-10 Core Developers meeting notes

General updates

• Diego should be online now, would be working Brazil time. Likely focusing on OpenFE first.

Individual updates

• JW –

  • Continuing to work on topology refactor -

    • getting rdkit specific code replicated by OE and into appropriate classes

    • ensuring that residue data goes to/from openmm/rdkit/OE in a sane, documented way

    • Turning from_pdb into a "one stop shop" that can handle a mix of small molecules and biopolymers

    • Making errors more informative to help users with debugging

  • Updating roadmap items to each have at least a primary driver and primary stakeholder/approver, and for items that are already in progress, some form of a spec for what the minimum product is and what stage are anticipated in its development

  • The preferred python plugin/entry point system recently had a small change, but adjusting to the new system required the redesign of our tests for parameterhandler plugins (OFFTK #1163). This is the last blocker to the 0.10.2 release

  • Discussing requirements for 0.11.0 and how to incorporate Interchange. Big discussion on thread in #developers.

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