Page Comparison

Primary Driver

Matt Thompson

Approver

Simon Boothroyd Jeffrey Wagner

Supporting Drivers

Jeffrey Wagner

Stakeholders

Jeffry Setiadi Lily Wang Michael Shirts Richard Gowers Joshua Horton Irfan Alibay, Hyesu Jang,

Decision authority

Milestone completion: Unanimity of Primary Driver and Approver

Significant spec changes: Unanimity of Primary Driver and Approver in upon consultation of stakeholders

Discussion/ Notification venue

The #developers slack channel, with a 3-day feedback period for any major decision, in which all stakeholders are tagged

Objective

Replace current Toolkit code that generates OpenMM systems with Interchange in a way that does not unduly affect users or FF developers

Due date

End of November 2022

Key outcomes

Interchange code replaces all the create_force and postprocess_system methods from the OFF toolkit. FF fitting experimentation migrates to use Interchange.

Status