2 Pull requests merged by 2 people

• Support large molecule InChi with RDKit

  #2040 merged Mar 28, 2025

• Catch MissingOptionalDependencyError when nglview is not installed

  #2039 merged Mar 27, 2025

2 Issues closed by 2 people

• Cannot create InChi of large molecule

  #1977 closed Mar 28, 2025

• Molecule repr seems to raise a ModuleNotFoundError (without nglview)

  #1157 closed Mar 27, 2025

6 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.

• Speed up identical molecule detection

  #2025 commented on Apr 2, 2025 • 3 new comments

• Molecule de-duplication lost in `Topology` roundtrips

  #2034 commented on Mar 28, 2025 • 0 new comments

• `Topology.identical_molecule_groups` is too slow

  #2035 commented on Mar 28, 2025 • 0 new comments

• Rework are_isomorphic method of Molecule class for polymers

  #1734 commented on Mar 28, 2025 • 0 new comments

• `unique_molecules` argument should not be optional

  #1485 commented on Mar 31, 2025 • 0 new comments

• `Topology.identical_molecule_groups` scales poorly with many large molecules

  #2008 commented on Apr 1, 2025 • 0 new comments