Labels

• api

  API design discussions
• breaking

  Breaking changes
• bug

  Something isn't working
• ci

  Continuous integration
• deps

  Dependency version bumps
• docs

  Improvements or additions to documentation
• duplicate

  This issue or pull request already exists
• ecosystem

  Comp-chem ecosystem related
• enhancement

  New feature or request
• examples

  New or updated example scripts
• feature

  Entirely new features, not improvements to existing ones
• fix

  Bug fix
• geo-opt

  Geometry optimization
• good first issue

  Good for newcomers
• help wanted

  Extra attention is needed
• invalid

  This doesn't seem right
• keep-open

  PRs to be ignored by StaleBot
• md

  Molecular dynamics
• mem

  GPU/CPU Memory related
• ml-eng-friendly

  Contributors would benefit from having machine learning background
• models

  Model-related issues and PRs
• neighbor list

  Neighbor analysis
• perf

  Performance issues or improvements
• physicist-friendly

  Contributors would benefit from having technical physics background
• pkg

  Packaging
• question

  Further information is requested
• refactor

  Refactorings
• tests

  Test all the things
• types

  Type all the things
• ux

  User experience