OpenFreeEnergy / OpenFreeEnergy/openfe

add quickrun error inspection command

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

Description

addressed by https://github.com/OpenFreeEnergy/openfe/pull/492

for all users (even API-exclusive users), this CLI command should allow for easy evaluation of a failed edge

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 reviewing pull request 492, which the issue identifies as addressing this work, and inspect the existing quickrun command entry point if the pull request leaves anything unresolved. Done means the CLI provides an easy way for all users, including API-exclusive users, to evaluate a failed edge.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
cli
Issue type
Feature
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
15/100

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