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Documentation? #287

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KirkDCO opened this issue Dec 31, 2024 · 1 comment
Open

Documentation? #287

KirkDCO opened this issue Dec 31, 2024 · 1 comment

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@KirkDCO
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KirkDCO commented Dec 31, 2024

Documentation through examples, the included presentation PDF, and the wiki are a bit sparse. While general use of AD is straightforward, interpretation of the output, conversion of output using Meeko, and using AD for multiple ligands against the same target (e.g., 500,000 ligands docking against a single target), docking against multiple targets, etc. don't seem to be documented - at least not obviously.

Are there links to existing documentation for various tasks such as those listed above?

@diogomart
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Thank you for pointing out specific holes in the documentation. I agree, those tasks could be documented better

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