2 Pull requests merged by 1 person

• Try assigning bond orders as last resort in RMSD function

  #49 merged Jan 18, 2025

• Update energy ratio test for InChI 1.07

  #51 merged Jan 18, 2025

1 Issue closed by 1 person

• `check_rmsd()`'s calls to RDKit's `CalcRMS()` are not consistently successful

  #48 closed Jan 18, 2025

1 Unresolved conversation

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.

• Add timeout decorator to RMSD calculations to prevent occasional process deadlocks

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