RosettaCommons / RosettaCommons/atomworks

Create tutorial for ML usage

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#43 0 comments 0 reactions 1 assignee View on GitHub

@rclune is already working on this.

Since Oct 23, 2025.

Dominant language
Python
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446
Forks
52
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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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  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

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