Labels

• bug

  Something isn't working
• C / C++

  Issues related to the C and C++ API
• calculators

  Work on the representation/fingerprint functions.
• CI/CD

  Related to the continuous integration and testing.
• documentation

  Improvements or additions to documentation
• enhancement

  Implementation of new features
• good first issue

  Good for newcomers
• help wanted

  Extra attention is needed
• Python

  Issues related to the Python API
• Torch

  Issues related to the Torch API