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Gptmd approach update #2419
Merged
nbollis
merged 39 commits into
smith-chem-wisc:master
from
trishorts:gptmdApproachUpdate
Nov 16, 2024
Merged
Gptmd approach update #2419
nbollis
merged 39 commits into
smith-chem-wisc:master
from
trishorts:gptmdApproachUpdate
Nov 16, 2024
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #2419 +/- ##
==========================================
+ Coverage 93.64% 93.81% +0.16%
==========================================
Files 141 141
Lines 21920 22020 +100
Branches 3004 3015 +11
==========================================
+ Hits 20528 20659 +131
+ Misses 935 910 -25
+ Partials 457 451 -6
|
trishorts
requested review from
Alexander-Sol,
pcruzparri,
nbollis,
zhuoxinshi and
RayMSMS
September 24, 2024 19:09
…taMorpheus into gptmdApproachUpdate
…taMorpheus into gptmdApproachUpdate
nbollis
reviewed
Oct 3, 2024
Alexander-Sol
previously approved these changes
Oct 17, 2024
nbollis
approved these changes
Nov 13, 2024
Alexander-Sol
approved these changes
Nov 14, 2024
zhuoxinshi
approved these changes
Nov 15, 2024
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GPTMD is promiscuous in the addition of potential modifications to the xml database. This PR reduces the number of candidate modifications added to those that produce the highest score for each possible PTM. The high level details of the new algorithm are as follows:
For bottom up:
six mann A549 files with human fasta.
old method added 200513 mods; new method added 128449 mods
old method 102324 psms; new 103546
old 39283 peptides; new 39277
old 6042 proteins; new 6012
For top down:
14 fractions x 2 techreps jurkate td files from sean dai paper
old method added 19188 mods; new method added 11013 mods
old method 23688 psms; new 24022
old 904 proteoforms; new 899
old 279 proteins; new 273
Additonal updates: