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@atravitz atravitz commented Dec 9, 2025

@atravitz atravitz self-assigned this Dec 9, 2025
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github-actions bot commented Dec 9, 2025

Colab 👈 Launch a Colab session on branch update_konnektor_notebooks

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atravitz commented Dec 11, 2025

Some migration from OpenFreeEnergy/konnektor#200, but generally minor changes.

@atravitz atravitz requested review from IAlibay and jthorton December 11, 2025 00:39
@atravitz atravitz changed the title update konnektor notebooks update ligand generation notebooks Dec 11, 2025
@atravitz atravitz changed the title update ligand generation notebooks update ligandnetwork generation notebooks Dec 11, 2025
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atravitz commented Dec 11, 2025

@atravitz atravitz marked this pull request as ready for review December 11, 2025 03:28
@atravitz atravitz force-pushed the update_konnektor_notebooks branch 2 times, most recently from f0b882c to 3ee90e0 Compare December 11, 2025 16:45
@atravitz atravitz force-pushed the update_konnektor_notebooks branch from 2b656c0 to ff4a545 Compare January 8, 2026 02:19
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jthorton commented on 2026-01-08T11:38:30Z
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Do we want some more details on what we are trying to show in the notebook, it might be good so users can quickly tell if this is relevent to them, we also might want to point to the konnector docs for more examples and details on the networks available.


atravitz commented on 2026-01-09T17:14:57Z
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ah, I missed carrying over the title cell from konnektor! and now that I'm looking at this again, I think maybe it should actually live in konnektor docs with kartograf as a dep only for the tutorial notebooks.

IAlibay commented on 2026-01-09T17:39:52Z
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I think either way works tbh - we want to encourage folks to use konnektor, so whichever is easiest!

atravitz commented on 2026-01-09T21:58:39Z
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okay, let's keep it here so that konnektor is completely independent of kartograf for now!

@atravitz atravitz requested a review from jthorton January 9, 2026 17:06
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atravitz commented Jan 9, 2026

ah, I missed carrying over the title cell from konnektor! and now that I'm looking at this again, I think maybe it should actually live in konnektor docs with kartograf as a dep only for the tutorial notebooks.


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IAlibay commented Jan 9, 2026

I think either way works tbh - we want to encourage folks to use konnektor, so whichever is easiest!


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aside from josh's comments - this looks good to me

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atravitz commented Jan 9, 2026

okay, let's keep it here so that konnektor is completely independent of kartograf for now!


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@atravitz atravitz enabled auto-merge January 9, 2026 22:05
@atravitz atravitz merged commit 96e10dc into main Jan 9, 2026
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@atravitz atravitz deleted the update_konnektor_notebooks branch January 9, 2026 22:25
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4 participants