pyiron / pyiron/structuretoolkit
Structure Descriptors for Machine Learning
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 8
- Forks
- 1
- Avg merge
- 1d 28m
- Merged PRs (30d)
- 10
Description
I started to add interfaces for the SNAP https://github.com/pyiron/structuretoolkit/pull/71 and SOAP https://github.com/pyiron/structuretoolkit/pull/74 descriptors. But as we already have a series of machine learning projects for grain boundaries and other defect structures @ligerzero-ai and @pmrv can you add your descriptors to the sructuretoolkit as well?
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
Begin with the SNAP and SOAP descriptor interfaces referenced in pull requests #71 and #74. Review those interfaces and the machine-learning projects mentioned in the issue to determine which descriptors belong in structuretoolkit and how completion will be verified.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- machine-learning, python
- Domain
- machine-learning
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100