RosettaCommons / RosettaCommons/atomworks
Create tutorial for ML usage
Open
@rclune is already working on this.
Since Oct 23, 2025.
- Dominant language
- Python
- Stars
- 446
- Forks
- 52
- PR merge metrics
- No merged PRs in 30d
Description
Combine pieces from the examples (Datasets in AtomWorks, Creating Custom Ligand Transforms) to create an ML tutorial.
Tutorial should have:
- Clear learning objective(s)
- Instructions on how to obtain any necessary input files
- Example output files for comparison
- List of prerequisites (dependencies that need to be installed, folders that need to be created, etc.)
- An ordered list of steps with concise explanations
- Images wherever appropriate
- Tested on various systems and by several users
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- 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.
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