ReactionMechanismGenerator / ReactionMechanismGenerator/T3
Training reactions: Use reverse rate as well for training
Open
Nobody has claimed this yet.
Topic: RMG
Type: Feature
- Dominant language
- Python
- Stars
- 14
- Forks
- 7
- Avg merge
- 22h 36m
- Merged PRs (30d)
- 22
Description
A note to ourselves: Once we support rates and add training reactions to RMG, we should add the reverse calculated rate as well as a training reaction to reversible families.
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 reviewing how rates and training reactions are currently represented in T3, then determine how reversible families represent calculated reverse rates. Done means rates are supported and the reverse calculated rate is added as a training reaction for reversible families.
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