8000 MeOX & TMS GC-Derivatization Tool by wverastegui · Pull Request #503 · RECETOX/galaxytools · GitHub
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MeOX & TMS GC-Derivatization Tool #503

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Merged
merged 12 commits into from
Mar 20, 2024
Merged

MeOX & TMS GC-Derivatization Tool #503

merged 12 commits into from
Mar 20, 2024

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wverastegui
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This PR implements a MeOX and TMS GC-derivatization tool that reads a list of SMILES from SMI and Tabular formats.

Closes #295

@wverastegui wverastegui requested a review from hechth March 15, 2024 09:18
bgruening
bgruening reviewed Mar 15, 2024
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@hechth hechth marked this pull request as ready for review March 20, 2024 09:42
hechth
hechth reviewed Mar 20, 2024
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Small changes so far - the versions need to be fixed, I will test the package locally and see what happens.

@hechth hechth merged commit d136cc9 into master Mar 20, 2024
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Wrap gc_derivatization tool
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@wverastegui @bgruening @hechth
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