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mxfold2 output

Open KGillinder opened this issue 2 years ago • 4 comments

Hi, I am wondering if you could clarify what the output from mxfold2 represents? Specifically the numbers in the parenthesis at the bottom right? Are these a score or metric of some kind? Is a larger number better or worse for a given output?

Apologies if this is stated somewhere, but I couldn't find it!

KGillinder avatar Apr 20 '22 06:04 KGillinder

Me too. Though I found it's probably self.calculate_differentiable_score()

dongzhuoer avatar Oct 02 '22 01:10 dongzhuoer

It is the folding score, which corresponds to Eq. (1) in the paper (http://dx.doi.org/10.1038/s41467-021-21194-4). A large value means a stable structure.

satoken avatar Nov 03 '22 13:11 satoken

To hijack the thread, how do those numbers(scores) compare to the numbers obtained by ViennaRNA MFE calculations, in which more negative numbers mean a more stable structure? Is there any point in comparing the numbers or should we just use them to compare the rankings of different sequences i.e?

mvolar avatar May 16 '23 11:05 mvolar

The default model of MXfold2 was trained to be as close as possible to the sign-reversed value of the thermodynamic energy using thermodynamic regularization. See Table 3 in the paper for its evaluation.

satoken avatar May 17 '23 03:05 satoken