rdk / p2rank

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

Home Page:https://rdk.github.io/p2rank/

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Invalid format and content of runs_pred.csv

skodapetr opened this issue · comments

After running .\prank.bat eval-predict .\..\coach420-mlig.ds file called runs_pred.csv is produced.
The file has following content.

dir,label,proteins,ligands,pockets,DCA_4_0,DCA_4_2,P,R,F1,MCC,ligSize,pocketVol,pocketSurf
eval_predict_coach420,FastRandomForest (...),420,511,2538,71,6,77,1,     NaN,     NaN,     NaN,   0,000,  26,898,   0,000,  25,418
eval_predict_coach420-mlig,FastRandomForest (...,300,378,1772,71,2,75,7,     NaN,     NaN,     NaN,   0,000,  28,839,   0,000,  25,492

It seems that a comma is used as a CSV separator but also as a decimal separator, making the CSV hard to use and read.