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Mostly just formatting and clarity edits, but I also updated the final example final_results.tsv to reflect what I'm seeing when I run the current tutorial.

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Binder 👈 Launch a binder notebook on branch OpenFreeEnergy/ExampleNotebooks/cli_tutorial_proofreading

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Just the one thing, otherwise lgtm.

lig_jmc_27 -0.91 0.09
lig_jmc_28 -1.2 0.1
ligand DG(MLE) (kcal/mol) uncertainty (kcal/mol)
lig_ejm_31 -0.09 0.05
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This should be tab separated, is there a \t in this?

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Fixed. I think vscode autoconverted tabs -> spaces before.

@atravitz atravitz merged commit b73a698 into main Oct 18, 2024
@atravitz atravitz deleted the cli_tutorial_proofreading branch October 18, 2024 15:42
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3 participants