Patrik Bjärterot

icon company Uppsala University icon location Uppsala icon location PhD student in Bioinformatics studying MALDI-MSI, metabolomics and multi-modal spatial analyses

Results 3 issues of Patrik Bjärterot

obtaining CCS values

Hi, is there a way of obtaining the CCS values as listed on pubchem via pubchempy?

enhancement

Issue with Input file size and chunk size

2 comment

Hi, I've been trying to use build/compress with an example file i generated in python, as below. I keep getting the error > "Input file size is not a multiple...

Issues in multiprocessing

Setting n_jobs in OPLSValidator.fit() does not change the number of CPUs used. I suspect this is an issue with the joblib commands but if i find a solution i will...