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RECETOX
/
galaxytools
Set of Galaxy tool wrappers developed at RECETOX
MIT License
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high-res peak overwriting tool
#485
hechth
closed
7 months ago
0
Disabled key conversion in matchms tools
#484
zargham-ahmad
closed
7 months ago
1
Updated recetox_msfinder to v3.5.2-rcx2
#483
zargham-ahmad
closed
8 months ago
0
Add RIAssigner read RI from comments tool
#482
hechth
closed
7 months ago
0
Handle string sanitzing in matchms add key tool
#481
hechth
closed
7 months ago
1
Disable key conversion in data handling matchms tools
#480
hechth
closed
7 months ago
1
recetox-msfinder version update
#479
hechth
closed
8 months ago
0
Updated matchms filtering tool to use matchms function
#478
zargham-ahmad
closed
8 months ago
1
Update matchms filtering tool to also validate SMILES and InChI with require filters
#477
hechth
closed
8 months ago
0
Wrapper for ComputeBio
#476
hechth
opened
9 months ago
0
matchms_filtering: Added derive_precursor_mz_from_parent_mass filter
#475
zargham-ahmad
closed
9 months ago
2
first draft
#474
ChangLiuuczlcl8
closed
2 months ago
0
MFAssignR: Galaxy wrapper for the recalibration
#473
hechth
closed
1 month ago
0
MFAssignR: Galaxy wrapper for formula assignment
#472
hechth
closed
1 month ago
0
Galaxy wrapper which converts an MSP database to a csv used in ipapy2 as MS2 database, so a spectratable
#471
hechth
opened
9 months ago
0
MFAssignR: Wrapper for noise estimation module
#470
hechth
closed
1 month ago
0
MFAssignR: Wrapper for isotope filtering function
#469
hechth
closed
1 month ago
0
Adding the ipaPy2 tool suite
#468
hechth
opened
10 months ago
5
Galaxy module for including pathways in the scoring
#467
hechth
closed
9 months ago
0
Galaxy wrapper for Gibbs sampler to estimate posterior probabilities
#466
hechth
opened
10 months ago
1
wrapper for MS2 annotation
#465
hechth
opened
10 months ago
0
Wrapper for MS1 annotation
#464
hechth
opened
10 months ago
0
Wrapper for map isotope patterns
#463
hechth
opened
10 months ago
1
Check interoperability of ipapy2 adduct table and database and recetox-xmsannotator
#462
hechth
opened
10 months ago
0
Wrapper for clustering step which accepts recetox-aplcms and XCMS output
#461
hechth
opened
10 months ago
1
Implemented `matchms remove key` tool
#460
hechth
closed
10 months ago
1
Add require precursor_mz filter to matchms filtering
#459
hechth
closed
9 months ago
0
add `matchms remove key` tool
#458
hechth
closed
10 months ago
0
Add `derive_precursor_mz_from_parent_mass` to matchms filtering
#457
hechth
closed
9 months ago
0
re-added pandas dependency
#456
hechth
closed
10 months ago
0
try adding RLIMIT_NPROC and removed explicit pandas dependency
#455
hechth
closed
10 months ago
0
Galaxy wrapper for ipaPy2
#454
hechth
opened
10 months ago
0
try more threads
#453
hechth
closed
10 months ago
0
Update matchms_formatter.xml with OPENBLAS_NUM_THREADS=1
#452
hechth
closed
10 months ago
0
Updated recetox-msfinder output and version
#451
zargham-ahmad
closed
10 months ago
0
Error running Remove coordination complexes tool
#450
wverastegui
closed
10 months ago
2
Extract groups of compounds which are derivatization products of one another.
#449
hechth
opened
10 months ago
0
Split spectral library according to derivatization using SMARTS tool
#448
hechth
opened
10 months ago
0
matchms merge/subset tool import issue
#447
zargham-ahmad
closed
9 months ago
1
updated python in matchms merge and subsetting tool
#446
zargham-ahmad
closed
10 months ago
0
matchms networking Identifier key is not an optional variable
#445
chufz
opened
10 months ago
1
matchms_formatter only works when 'compound_name' is present
#444
chufz
closed
4 months ago
6
Matchms networking: error message
#443
bernt-matthias
opened
10 months ago
3
Updated matchms version to 0.24.0
#442
zargham-ahmad
closed
10 months ago
0
Removes coordination complexes compounds
#441
wverastegui
closed
10 months ago
0
Update matchms suite to 0.24.0
#440
hechth
closed
10 months ago
0
Change all output table types to tabular unless they are parquet
#439
hechth
closed
5 months ago
0
fix matchms outputs to existing types
#438
bernt-matthias
closed
10 months ago
1
Added tool: matchms_subsetting_tool
#437
zargham-ahmad
closed
10 months ago
0
Update matchms molecular networking tool
#436
hechth
closed
10 months ago
0
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