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Enhancement: User-guide and CPU and Memory requirements #4

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KasperBuskPedersen opened this issue Jul 31, 2024 · 1 comment
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@KasperBuskPedersen
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KasperBuskPedersen commented Jul 31, 2024

Dear Danny

Interesting new method. I think this github repo could benefit from a more elaborate user guide in the README, i.e. step-by-step how to go from a .pdb file to DDG predictions - this is not clear from the provided scripts.

Also, it is not clear to me what are the resource requirements (wall-time/cpu hours/memory) per structure prediction, this is quite important in an industrial setting.

Best
Kasper

@KasperBuskPedersen KasperBuskPedersen changed the title Enhancement: User-guide and CPU and Memmory requirements Enhancement: User-guide and CPU and Memory requirements Jul 31, 2024
@rpavlovicz
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rpavlovicz commented Sep 2, 2024

I'm also interested in giving StabilityOracle a try, but like Kasper mentioned it's not very clear how to go from a single input PDB to ddG predictions. Any extra info would be great, Thanks!

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