Issues

• test_get_equivalent_points_functional tests wrong property

  pyiron/structuretoolkit#496 · Filter by author pmrv opened on May 6, 2026

• Editing structure directly in the GUI inside the notebook

  pyiron/structuretoolkit#156 · Filter by author superstar54 opened on Mar 5, 2024
  1

  

• get_neighborhood does not work when cutoff_radius is specified

  bug
  pyiron/structuretoolkit#153 · Filter by author samwaseda opened on Feb 23, 2024
  

• plot3d - go beyond NGLview

  enhancement
  pyiron/structuretoolkit#124 · Filter by author samwaseda opened on Jan 11, 2024
  3

  

• Documentation

  pyiron/structuretoolkit#98 · Filter by author mbruns91 opened on Oct 18, 2023
  1

• Workflow stack

  pyiron/structuretoolkit#97 · Filter by author mbruns91 opened on Oct 18, 2023
  2

  

• Purpose of workflow mini.yml

  pyiron/structuretoolkit#96 · Filter by author mbruns91 opened on Oct 18, 2023
  2

  

• Structure Descriptors for Machine Learning

  pyiron/structuretoolkit#75 · Filter by author jan-janssen opened on Sep 13, 2023
  2

• Warning about missing neighborhood atoms

  pyiron/structuretoolkit#69 · Filter by author jan-janssen opened on Sep 8, 2023
  

• Address warning about neighbour list limit

  pyiron/structuretoolkit#68 · Filter by author jan-janssen opened on Sep 8, 2023
  

• Documentation needed incommon.helper

  pyiron/structuretoolkit#59 · Filter by author liamhuber opened on Aug 24, 2023
  1

  

• Address FutureWarning from sklearn

  pyiron/structuretoolkit#14 · Filter by author jan-janssen opened on May 5, 2023