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HeliXonProtein / binding-ddg-predictor

open source repository
Apache License 2.0
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About the Rosetta relax #7

Open leavdragon opened 1 year ago

leavdragon commented 1 year ago

The paper mentions that "The structures of mutated complexes were sampled using the Rosetta relax". We followed the above procedure to generate the structures after single point mutation and tested them using 'model.pt'. The Pearson correlation coefficient of our retest was only 0.29, while the Pearson correlation coefficient of the S1131 dataset in the paper was 0.65, which is very different from it. It would help us a lot if you could provide us with the structure of the mutation. Or can you provide us with the parameters of your rosetta relax.

paoslaos commented 1 month ago

Very curious comment. I was about to try this work but your comment made me worried. Could you resolve your issues @leavdragon?