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Showcase: Document atom mapping scoring metrics

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#107 1 comment 0 reactions 0 assignees View on GitHub

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Assessment

Difficulty
3/5
Estimated time
1-2 days
Newbie friendliness
35/100
Issue type
Documentation
Clarity
Mostly clear
Activity status
Stale
Tech stack
jupyter-notebook

Research direction

Start in the repository's example notebooks and review how the default lomap and karto's RMSD option can be demonstrated. Add a notebook comparison of the available mapping scoring options, with enough output to show how the results differ.

Written by the indexing model from the issue text.

Description

Can show off different mapping scoring options. Could compare default lomap to karto's RMSD option

Dominant language
Jupyter Notebook
Stars
70
Forks
15
Avg merge
4d 11h
Merged PRs (30d)
4

Getting set up

We have not checked this project's setup files yet. Start from its README, and see our first-contribution guide for the general steps.

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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