stanstrup / PredRet

Shiny app for retention time prediction
GNU General Public License v2.0
9 stars 6 forks source link

Run Time Estimate #83

Closed angepoch closed 2 years ago

angepoch commented 2 years ago

Hello!

First, thank you for creating this tool, it will really help with the untargeted metabolomics annotation process.

I was wondering what is the approximate time it takes to get predictions for our data. The website says approx. 30 minutes, but I have run it for over 24 hours and it is still not showing on my end.

Thanks in advance for your help!

stanstrup commented 2 years ago

Which is your dataset? Perhaps it wasn't able to make any models.

On Wed, Dec 1, 2021 at 10:14 PM angepoch @.***> wrote:

Hello!

First, thank you for creating this tool, it will really help with the untargeted metabolomics annotation process.

I was wondering what is the approximate time it takes to get predictions for our data. The website says approx. 30 minutes, but I have run it for over 24 hours and it is still not showing on my end.

Thanks in advance for your help!

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angepoch commented 2 years ago

Hello,

It ended up showing after ~48 hours. There must have been a lot of data queued ahead of me.

Thanks!

stanstrup commented 2 years ago

Right. It is possible to takes much longer now than before. Since it is making models one system against one system the number of calculations grows by ~N^2 for the number of systems in the database. It has grown significantly since it was developed.