OpenFreeEnergy / OpenFreeEnergy/openfe

ABFEs: Protocol

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openfe
Dominant language
Python
Stars
331
Forks
56
Avg merge
3d 9h
Merged PRs (30d)
13

Description

This issue was auto-created as part of the Zenhub sub-issues migration. The original entity was opened on 2024-10-15. For more details see this post.

Create the Protocol for ABFEs

Contributor guide

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by locating the existing protocol definitions and ABFE-related entry points in the OpenFE repository. Review how current protocols are structured and identify any tests or documentation that describe expected behavior. Done means the intended ABFE protocol is defined and covered by the project's relevant checks.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
tooling
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
20/100

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