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Cycle closure dataframe hangs on large networks #238

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Description

@jthorton

Describe the bug

For networks of around 750 ligands with degree of 3.6 hand for a long time while computing the cycle closure dataframe, we should see if we can make this faster.

To Reproduce
Steps to reproduce the behavior (ideally a minimally reproducible example):

Software versions

  • Which operating system and version did you use? (e.g. ubuntu 22.04.5)
  • Which method did you use to install this package? (e.g. conda-forge)
  • Copy/paste the output of conda list (or the equivalent for your package manager):

Output

Expected behavior

Additional context

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LLMs or other AI-powered tools were used in creating this issue: yes / no
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Activity

  1. self-assigned this
    on Sep 9, 2026
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