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glasgowcompbio
/
vimms
A programmable and modular LC/MS simulator in Python
MIT License
19
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6
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Create code to train model
#75
sdrogers
closed
1 year ago
3
Create code to parse .json and make training data
#74
sdrogers
closed
4 years ago
1
DsDA Example Broken
#73
vinnydavies
closed
2 years ago
2
Restructured noise classes
#72
sdrogers
closed
4 years ago
0
Create test case for the chemical generation process
#71
joewandy
closed
4 years ago
1
Fixes #64
#70
sdrogers
closed
4 years ago
0
Noise class is a bit restrictive?
#69
sdrogers
closed
4 years ago
4
remove hard-coded mzmine command path
#68
sdrogers
closed
4 years ago
0
Simple dia
#67
sdrogers
closed
4 years ago
0
Fixes for #65
#66
sdrogers
closed
4 years ago
0
Deprecation warning when running test_TopN_controller_with_simulated_chems_onlyMH
#65
joewandy
closed
4 years ago
0
One test fixture doesn't produce MS2 scans
#64
sdrogers
closed
4 years ago
8
Iss58
#63
sdrogers
closed
4 years ago
1
Chemical creator seems broken for creating a set of chemicals from scratch
#62
joewandy
closed
4 years ago
5
fixed iss60, added test
#61
sdrogers
closed
4 years ago
1
Fix adduct probabilities
#60
sdrogers
closed
4 years ago
1
Get rid of precursor information dictionary in the controller
#59
joewandy
closed
4 years ago
0
Empty MS2 scans in the test cases for simulated chems
#58
joewandy
closed
4 years ago
0
Perallelisation test
#57
sdrogers
closed
4 years ago
8
added extra param to optimal script
#56
sdrogers
closed
4 years ago
0
Allow time factor reduction in optimal script
#55
sdrogers
closed
4 years ago
0
Hardcoded default path to MZmine2
#54
joewandy
closed
4 years ago
1
fixed #49 by adding check in the MS
#53
sdrogers
closed
4 years ago
0
The first scan should be made by the controller
#52
sdrogers
closed
4 years ago
10
Add a test for m/z limits
#51
sdrogers
closed
4 years ago
0
Simple dia
#50
kkto28
closed
4 years ago
1
Scan m/z limits
#49
sdrogers
closed
4 years ago
1
Making multiple precursor windows match MS behaviour
#48
sdrogers
closed
4 years ago
8
Update readme for new testing code
#47
sdrogers
closed
4 years ago
4
Horrible scan time method calling
#46
sdrogers
closed
3 years ago
2
added default scan times
#45
sdrogers
closed
4 years ago
0
Numpy warning from unit testing
#44
RonanDaly
closed
2 years ago
4
Some parameters were ignored when writing mzML file
#43
joewandy
closed
4 years ago
0
Enhance optimal script
#42
sdrogers
closed
4 years ago
1
Iss40
#41
sdrogers
closed
4 years ago
0
Make optimal notebook into a script
#40
sdrogers
closed
4 years ago
1
Sequence Manager Implementation
#39
joewandy
closed
1 year ago
6
Shifted controllers
#38
sdrogers
closed
4 years ago
0
move BoxJoinAligner and pick_peaks to mass_spec_utils
#37
vinnydavies
closed
4 years ago
1
Move BoxJoinAligner and pick_peaks to mass_spec_utils
#36
vinnydavies
closed
4 years ago
0
Iss32
#35
sdrogers
closed
4 years ago
0
Add peak only and XCMS to sequence manager
#34
vinnydavies
closed
4 years ago
6
Python logging when running controllers
#33
joewandy
closed
4 years ago
1
Make new DEW controller
#32
sdrogers
closed
4 years ago
1
Make the unit tests faster
#31
sdrogers
closed
4 years ago
3
added number ms1 and ms2 scans to summary script
#30
sdrogers
closed
4 years ago
0
Add number of ms1 and number of ms2 scans to summary script
#29
sdrogers
closed
4 years ago
0
Is it possible to also support Waters WRENS API?
#28
joewandy
closed
4 years ago
5
added summariser for #26
#27
sdrogers
closed
4 years ago
0
mzML summariser
#26
sdrogers
closed
4 years ago
0
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