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project_automation.yaml
112 workflow runs
112 workflow runs

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Add RIAssigner read RI from comments tool Add issues to project #66: Issue #482 opened by hechth
January 18, 2024 10:13 12s
January 18, 2024 10:13 12s
Handle string sanitzing in matchms add key tool Add issues to project #65: Issue #481 opened by hechth
January 18, 2024 09:54 11s
January 18, 2024 09:54 11s
Disable key conversion in data handling matchms tools Add issues to project #64: Issue #480 opened by hechth
January 18, 2024 09:53 13s
January 18, 2024 09:53 13s
recetox-msfinder version update Add issues to project #63: Issue #479 opened by hechth
January 18, 2024 09:44 12s
January 18, 2024 09:44 12s
Update matchms filtering tool to also validate SMILES and InChI with require filters Add issues to project #62: Issue #477 opened by hechth
January 3, 2024 14:09 17s
January 3, 2024 14:09 17s
Wrapper for ComputeBio Add issues to project #61: Issue #476 opened by hechth
December 13, 2023 09:50 13s
December 13, 2023 09:50 13s
MFAssignR: Galaxy wrapper for the recalibration Add issues to project #60: Issue #473 opened by hechth
December 11, 2023 15:09 17s
December 11, 2023 15:09 17s
MFAssignR: Galaxy wrapper for formula assignment Add issues to project #59: Issue #472 opened by hechth
December 11, 2023 15:09 14s
December 11, 2023 15:09 14s
Galaxy wrapper which converts an MSP database to a csv used in ipapy2 as MS2 database, so a spectratable Add issues to project #58: Issue #471 opened by hechth
December 11, 2023 14:54 15s
December 11, 2023 14:54 15s
MFAssignR: Wrapper for noise estimation module Add issues to project #57: Issue #470 opened by hechth
December 11, 2023 11:00 20s
December 11, 2023 11:00 20s
MFAssignR: Wrapper for isotope filtering function Add issues to project #56: Issue #469 opened by hechth
December 11, 2023 10:59 15s
December 11, 2023 10:59 15s
Galaxy module for including pathways in the scoring Add issues to project #55: Issue #467 opened by hechth
December 4, 2023 16:24 11s
December 4, 2023 16:24 11s
Galaxy wrapper for Gibbs sampler to estimate posterior probabilities Add issues to project #54: Issue #466 opened by hechth
December 4, 2023 16:24 10s
December 4, 2023 16:24 10s
wrapper for MS2 annotation Add issues to project #53: Issue #465 opened by hechth
December 4, 2023 16:24 11s
December 4, 2023 16:24 11s
Wrapper for MS1 annotation Add issues to project #52: Issue #464 opened by hechth
December 4, 2023 16:24 11s
December 4, 2023 16:24 11s
Wrapper for map isotope patterns Add issues to project #51: Issue #463 opened by hechth
December 4, 2023 16:24 11s
December 4, 2023 16:24 11s
Check interoperability of ipapy2 adduct table and database and recetox-xmsannotator Add issues to project #50: Issue #462 opened by hechth
December 4, 2023 16:24 11s
December 4, 2023 16:24 11s
Wrapper for clustering step which accepts recetox-aplcms and XCMS output Add issues to project #49: Issue #461 opened by hechth
December 4, 2023 16:24 11s
December 4, 2023 16:24 11s
Add require precursor_mz filter to matchms filtering Add issues to project #48: Issue #459 opened by hechth
December 4, 2023 14:31 15s
December 4, 2023 14:31 15s
add matchms remove key tool Add issues to project #47: Issue #458 opened by hechth
December 4, 2023 14:25 13s
December 4, 2023 14:25 13s
Add derive_precursor_mz_from_parent_mass to matchms filtering Add issues to project #46: Issue #457 opened by hechth
December 4, 2023 14:21 11s
December 4, 2023 14:21 11s
Galaxy wrapper for ipaPy2 Add issues to project #45: Issue #454 opened by hechth
December 4, 2023 08:20 11s
December 4, 2023 08:20 11s
Error running Remove coordination complexes tool Add issues to project #44: Issue #450 opened by wverastegui
November 28, 2023 09:27 18s
November 28, 2023 09:27 18s
Extract groups of compounds which are derivatization products of one another. Add issues to project #43: Issue #449 opened by hechth
November 27, 2023 10:22 11s
November 27, 2023 10:22 11s
Split spectral library according to derivatization using SMARTS tool Add issues to project #42: Issue #448 opened by hechth
November 27, 2023 10:21 13s
November 27, 2023 10:21 13s