Improve runtime for predict_library by running DeepLC and IM2Deep predictions only once #243
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Key changes:
Changes to
predict_libraryfunction:PSMListand filtering of PSMs by mz inpredict_libraryfunction (ms2pip/core.py).ms2pip/core.py).Improvements in
search_spacehandling:to_psm_listmethod to convert search space toPSMList(ms2pip/search_space.py).buildmethod to ensure the number of processes is correctly set and used for parallelization (ms2pip/search_space.py).Timing of runs on
releasesand this branch, on a small fasta subset of human proteome (semi-tryptic) (~240.000 PSMs, so 3 batches):releases: 3099.83s user 1460.12s system 1312% cpu 5:47.51 totalthis branch: 2405.46s user 596.67s system 1334% cpu 3:44.90 total