moltools / moltools/RetroMol-GUI
Allow for stereochemistry monomer matching in the GUI
Open
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enhancement
- Dominant language
- TypeScript
- Stars
- 1
- Forks
- 0
- PR merge metrics
- No merged PRs in 30d
Description
The RetroMol command line interface allows for stereochemistry matching with the -C flag. Allow users to set the stereochemistry flag from the frontend when parsing compound items, and visualize the stereochemistry in the frontend.
Contributor guide
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start in the frontend flow that parses compound items and inspect how the RetroMol CLI's -C stereochemistry option is represented. Add a user-settable stereochemistry match option and frontend visualization; done means both behaviors work together for parsed compounds.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- typescript
- Domain
- frontend
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100