OpenFreeEnergy / OpenFreeEnergy/openfe

add documentation to rfe_utils

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#1,394 0 comments 0 reactions 1 assignee View on GitHub

@ijpulidos is already working on this.

Since Jun 27, 2025.

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

Description

as a part of openfe ecosystem utils planning, @ijpulidos noticed several redundancies withinhttps://github.com/OpenFreeEnergy/openfe/tree/main/openfe/protocols/openmm_rfe/_rfe_utils.

redundant functions should get comments so that we know to revisit and eventually remove them.

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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.

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