ProSST icon indicating copy to clipboard operation
ProSST copied to clipboard

Error in score_mutant.ipynb

Open MichaelAbel1 opened this issue 9 months ago • 4 comments

structure_sequence_offset = [i + 3 for i in structure_sequence] TypeError: can only concatenate str (not "int") to str

MichaelAbel1 avatar Mar 04 '25 09:03 MichaelAbel1

I would like to ask what is the difference between residue_sequence and structure_sequence, and if there is a difference how structure_sequence is obtained

MichaelAbel1 avatar Mar 04 '25 10:03 MichaelAbel1

Is the following correct? and if so what does it have to do with +3, isn't this the result of clustering the embedding representation of each residue?

structure_sequence_offset = [i + 3 for i in structure_sequence['2048']['GRB2_HUMAN_Faure_2021.pdb']['struct']]

MichaelAbel1 avatar Mar 10 '25 11:03 MichaelAbel1

I conducted this command structure_sequence_offset = [i + 3 for i in structure_sequence['2048']['GRB2_HUMAN_Faure_2021.pdb']['struct']]. The final spearman rho was 0.4225 instead of 0.6997. Something went wrong.

mingshsmu avatar Mar 21 '25 06:03 mingshsmu

Was this issue resolved? I am running into the same issue

tonytu16 avatar Jul 25 '25 19:07 tonytu16