ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database

Kinetics libraries could include more `shortDesc` strings

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Dominant language
Python
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127
Forks
160
Avg merge
6d 2h
Merged PRs (30d)
2

Description

As per https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2703#pullrequestreview-2618475656, many of the libraries on https://rmg.mit.edu/database/kinetics/libraries/ don't currently have shortDesc, and could be made more descriptive to database users by including these fields.

Some existing descriptions could be improved as well, for example BurkeH2O2inArHe has the same description as BurkeH2O2inN2. Descriptions in general are not systematically named.

Example:

Image

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First steps

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  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 from the kinetics libraries listed at rmg.mit.edu/database/kinetics/libraries/ and review which entries lack shortDesc or have inaccurate descriptions. Done means the relevant library descriptions are added or corrected, including the duplicated BurkeH2O2inArHe and BurkeH2O2inN2 descriptions.

Written by the indexing model from the issue text.

Assessment

Domain
content, databases
Issue type
Documentation
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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