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OFF-EP X — Template

Status: <Draft | Proposed | Accepted | Rejected | Deferred | Final>

Authors: <list of authors' real names and optionally, email addresses>

Stakeholders: <list of stakeholders that would be affected by this proposal>

Acceptance criteria: Acceptance by at least 3 of John Chodera, David Mobley, Lily Wang, or Jeff Wagner

Created: <date created>

Discussion: <link to the PR / issue where proposal is being discussed>

Implementation: <link an example / reference implementation of the proposal>


A short description of the change being addressed.

Motivation and Scope

This section describes the need for the proposed change. It should describe the existing problem, who it affects, what it is trying to solve, and why. This section should explicitly address the scope of and key requirements for the proposed change. If the proposal is based around changes to software, this section should clearly indicate which package(s) would be changed.

Usage and Impact

This section describes how users of the ecosystem will use features described in this SMIRNOFF EP. It should be comprised mainly of code / file examples that wouldn't be possible without acceptance and implementation of this proposal, as well as the impact the proposed changes would have on the ecosystem.

Backward compatibility

This section describes the ways in which the proposal breaks backward compatibility, and the migrations / strategies that will be implemented to reduce the inconvenience caused to the users.

Detailed description

This section should provide a detailed description of the proposed change. It should include examples of how the new functionality would be used, intended use-cases and pseudo-code illustrating its use.


If there were any alternative solutions to solving the same problem, they should be discussed here, along with a justification for the chosen approach.


This section may just be a bullet list including links to any discussions regarding the proposal:

  • This includes links to mailing list threads and / or relevant GitHub issues.

This template is based upon the numpy NEP template and the conda-forge CFEP template.

All OFF-EPs are explicitly CC0 1.0 Universal.