OpenFreeEnergy / OpenFreeEnergy/ExampleNotebooks

Showcase: Include energetics analysis section

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Dominant language
Jupyter Notebook
Stars
70
Forks
15
Avg merge
10h 42m
Merged PRs (30d)
2

Description

should include some details on the plots produced by the RFE protocol.

Relies on #111

Contributor guide

No contributing guide indexed for this repository

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 issue #111, which this work relies on, then locate the relevant showcase notebook in the ExampleNotebooks repository. Use the plots produced by the RFE protocol as the reference; done means the showcase includes details about those plots.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook
Domain
documentation
Issue type
Documentation
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
30/100

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