2 Pull requests merged by 1 person

• Add benchmark for CellList

  #734 merged Jan 18, 2025

• Improve error message in align_structural_homologs()

  #735 merged Jan 18, 2025

3 Pull requests opened by 1 person

• Add interface to RDKit

  #736 opened Jan 14, 2025

• Improve error message

  #737 opened Jan 17, 2025

• Add generic aromatic bond

  #738 opened Jan 17, 2025

3 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• Adding interfaces to popular Python packages

  #709 commented on Jan 14, 2025 • 0 new comments

• support for YASARA PETWORLD Cif files.

  #633 commented on Jan 18, 2025 • 0 new comments

• Check that finite values are given as query to `CellList`

  #733 commented on Jan 18, 2025 • 0 new comments