ReactionMechanismGenerator / ReactionMechanismGenerator/ARC
Using resonance structre in identify_superimposable_candidates.
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 51
- Forks
- 25
- Avg merge
- 4d 5h
- Merged PRs (30d)
- 15
Description
Is your feature request related to a problem? Please describe.
If identifying identify superimposable candidates fails, one can try to use an additional resonance structure, that will be superimposible with the other species.
Contributor guide
No contributing guide indexed for this repository
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 by locating the identify_superimposable_candidates entry point and reading how candidate identification currently fails. Determine how an additional resonance structure could be supplied and superimposed with the other species. Done means failed identifications can use that additional structure to find a valid superimposable candidate.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100