hanselyu / prekcat Goto Github PK

Hi, thanks for you great work.
I want to use your model to do some inference, but I did not find the vocab.pkl file from smile transformer repo, would you provide this file or upload this file to Prekcat repo.

Thanks.

Hi
the average coefficient of determination (R2) value on the test set from five rounds of random splitting was 0.68。 Is the test set here 10 of the total data set。 The results of your test set are very good, I wonder if the code could be available.

Hi, yu.

I noticed your prekcat paper, which is a great paper.
May I ask when you will release the code?

PreKcat_predicted_label.xlsx
Hi
I predicted kcat through your code, but I found some problems, such as this, the three sets of data sequence and smile are consistent, but the predicted results are different.
When I looked at the features from their pre-trained model, I found that there were inconsistencies at smile that were causing the inconsistencies。Have you ever encountered this kind of problem
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