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RECETOX
/
galaxytools
Set of Galaxy tool wrappers developed at RECETOX
MIT License
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matchms networking: fix compatability with newer matchms tools
#435
hechth
closed
10 months ago
0
Update recetox-msfinder to version that writes log files
#434
hechth
closed
10 months ago
0
Add CID support to QCxMS
#433
hechth
opened
11 months ago
0
Implement an interactive tool or visualization to view molecular structures in 3D
#432
hechth
closed
6 months ago
4
matchms spectral library subsetting tool
#431
hechth
closed
10 months ago
0
Find a tool which enables filtering coordination complexes and mixtures from a list of SMILES
#430
hechth
closed
10 months ago
1
matchms scores formatter numpy import issues
#429
hechth
closed
9 months ago
3
Added tool: matchms_metadata_merge
#428
zargham-ahmad
closed
10 months ago
1
Implement tool to generate an isotopic pattern library
#427
hechth
closed
5 months ago
1
Galaxy tool to create an alkane series file?
#426
hechth
opened
11 months ago
1
matchms metadata match memory allocation
#425
hechth
closed
4 months ago
3
Implement wrapper for PeakPantheR
#424
hechth
opened
11 months ago
0
Implement a matchms export peaklist tool
#423
hechth
opened
11 months ago
0
Implement tool to merge metadata excel sheet into MSP by joining on a specified column/metadata key
#422
hechth
closed
10 months ago
2
Qcxms
#421
zargham-ahmad
closed
7 months ago
8
Add EDAM identifiers: Retip and recetox-msfinder
#420
zargham-ahmad
closed
11 months ago
0
Implement QCxMS Galaxy tools
#419
hechth
closed
7 months ago
0
Add EDAM identifiers to MSFinder
#418
hechth
closed
11 months ago
0
Add EDAM identifiers to retip
#417
hechth
closed
11 months ago
0
Update matchms to 0.23.1
#416
hechth
closed
11 months ago
0
matchms: add option to filter 0 scores or not
#415
hechth
opened
11 months ago
1
matchms: update to 0.23.1
#414
hechth
closed
11 months ago
0
bumped galaxy version in all wrapers to trigger toolshed update
#413
hechth
closed
11 months ago
0
deploy to toolshed
#412
hechth
closed
11 months ago
0
add dummy tests for aplcms
#411
hechth
closed
11 months ago
0
deployment CI fix
#410
zargham-ahmad
closed
11 months ago
0
replace all hard symlinks with soft symlinks
#409
hechth
closed
12 months ago
0
matchms convert: add MS-LIMA MSP style
#408
zargham-ahmad
closed
12 months ago
0
matchms conversion: add MS-LIMA MSP style or make RIKEN style compliant with this
#407
hechth
closed
12 months ago
1
recetox-aplcms: add tests
#406
hechth
closed
11 months ago
0
CI fix
#405
zargham-ahmad
closed
1 year ago
0
Added matchms add key tool
#404
zargham-ahmad
closed
1 year ago
0
Improved formatter.py performance
#403
zargham-ahmad
closed
1 year ago
1
matchms: added filters and test and fixed linter warnings
#402
zargham-ahmad
closed
1 year ago
1
updated PAT
#401
hechth
closed
1 year ago
4
updated CI and PR github actions from IUC
#400
hechth
closed
1 year ago
1
Revert "Update matchms to 0.22.0"
#399
hechth
closed
1 year ago
8
matchms: add reduce to top n peaks filter
#398
hechth
closed
1 year ago
0
matchms: add require SMILES and require INCHI filters
#397
hechth
closed
1 year ago
0
Bump matchms version to 0.22.0
#396
zargham-ahmad
closed
1 year ago
1
Update matchms to 0.22.0
#395
hechth
closed
1 year ago
0
Molecular optimization tool
#394
wverastegui
closed
12 months ago
1
Biotransformer: error from having mixtures as input
#393
ElliottJP
opened
1 year ago
5
RAMClustR: Add filtering, qc and plots for related steps
#392
hechth
closed
5 months ago
0
Include test-data in .shed.yml for riassigner and recetox_xmsannotator
#391
cat-bro
closed
1 year ago
0
recetox-aplcms: update to 0.12.0
#390
xtrojak
closed
1 year ago
0
aplcms: update to 0.12.0
#389
xtrojak
closed
1 year ago
0
matchms: update to 0.22.0
#388
hechth
closed
1 year ago
0
recetox-aplcms: known issues with input parameters
#387
xtrojak
closed
1 year ago
1
Fix sample name sorting and assignment in rcx-aplcms compute clusters
#386
hechth
closed
1 year ago
0
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