ReactionMechanismGenerator / ReactionMechanismGenerator/ARC
Progress indication
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.
It's currently inconvenient to assess what ARC has already achieved during a run, and what's still ahead.
Describe the solution you'd like
As a first step, it would be nice to have a YAML file that specifies briefly the state of each reaction and species.
Describe alternatives you've considered
An alternative could be a fancy localhost portal that interactively displays the advancement. It could very well be based off of that YAML file.
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
The issue names no file, test, or entry point. Start by locating how an ARC run exposes the state of reactions and species and how output files are currently written. Done means producing a YAML file that briefly records the state of each reaction and species.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- tooling
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 30/100