Skip to content

Add example for the RedundantMstConcatenator - #337

Merged
hannahbaumann merged 2 commits into
mainfrom
repair-redundant-mst
Oct 19, 2026
Merged

hannahbaumann merged 2 commits into
mainfrom
repair-redundant-mst

Conversation

@hannahbaumann

Copy link
Copy Markdown
Contributor

No description provided.

@review-notebook-app

Copy link
Copy Markdown

Check out this pull request on  ReviewNB

See visual diffs & provide feedback on Jupyter Notebooks.


Powered by ReviewNB

@github-actions

github-actions Bot commented Oct 9, 2026

Copy link
Copy Markdown

Colab 👈 Launch a Colab session on branch repair-redundant-mst

@hannahbaumann
hannahbaumann requested a review from jthorton October 9, 2026 10:49
@@ -506,6 +506,69 @@
"At this stage, the repaired ligand network is connected again. The repaired network contains both the existing and newly proposed edges, while `new_edges_by_score` contains only the new ligand mappings that still need to be simulated."

@jthorton jthorton Oct 16, 2026 •

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Should we make a point to highlight the result to make the difference clear? Maybe mention that the same connections the MSTConcatenator produced are returned plus some new ones and we can see that the sub-networks like ejm_48 now has two connections in the network.


Reply via ReviewNB

Copy link
Copy Markdown
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Added something!

@jthorton jthorton left a comment

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This is great, one minor thing to consider but its not blocking!

@jthorton jthorton self-assigned this Oct 16, 2026
@hannahbaumann
hannahbaumann merged commit b26e92b into main Oct 19, 2026
4 checks passed
@hannahbaumann
hannahbaumann deleted the repair-redundant-mst branch October 19, 2026 11:55
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants