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IAlibay
requested changes
Dec 5, 2025
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IAlibay
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Just the one comment, we do want to track any additions / changes to the core PDB files under cookbook/assests/of3_output, but we don't want to track the additional directories being created. It might be that we have to change the notebook to write to a different location.
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| abfe_tutorial/abfe_results/ | ||
| abfe_tutorial/abfe_json/ | ||
| ahfe_tutorial/ahfe_json/ | ||
| cookbook/assets/of3_output/ |
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The PDBs under this section are ones we want to keep track of.
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thanks for catching this! I updated it to specifically ignore of3_output/p_aligned and of3_output/temp_ligands.
IAlibay
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Dec 10, 2025
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I'm adding any generated files to the git ignore to avoid committing large files by mistake (me? never.)