Labels

• api

  api

  API design discussions

• breaking

  breaking

  Breaking changes

• bug

  bug

  Something isn't working

• ci

  ci

  Continuous integration

• deps

  deps

  Dependency version bumps

• docs

  docs

  Improvements or additions to documentation

• duplicate

  duplicate

  This issue or pull request already exists

• dx

  dx

  Developer experience

• ecosystem

  ecosystem

  Comp-chem ecosystem related

• enhancement

  enhancement

  New feature or request

• examples

  examples

  New or updated example scripts

• feature

  feature

  Entirely new features, not improvements to existing ones

• fix

  fix

  Bug fix

• geo-opt

  geo-opt

  Geometry optimization

• good first issue

  good first issue

  Good for newcomers

• help wanted

  help wanted

  Extra attention is needed

• invalid

  invalid

  This doesn't seem right

• keep-open

  keep-open

  PRs to be ignored by StaleBot

• md

  md

  Molecular dynamics

• mem

  mem

  GPU/CPU Memory related

• ml-eng-friendly

  ml-eng-friendly

  Contributors would benefit from having machine learning background

• models

  models

  Model-related issues and PRs

• perf

  perf

  Performance issues or improvements

• physicist-friendly

  physicist-friendly

  Contributors would benefit from having technical physics background

• pkg

  pkg

  Packaging

• refactor

  refactor

  Refactorings

• tests

  tests

  Test all the things

• types

  types

  Type all the things

• ux

  ux

  User experience

• wontfix

  wontfix

  This will not be worked on