OpenFreeEnergy / OpenFreeEnergy/openfe

Add getter to yield MDAnalysis Universes in the protocol results

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

Description

This issue has no description.

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

The issue names no files, tests, or entry points. Locate the protocol-results implementation and existing result accessors, then determine how MDAnalysis Universes should be exposed and what return behavior is expected. Confirm the scope with maintainers before implementing and testing the getter.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
data
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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