Release v0.3.0
What's Changed
- matchms: add tabular datatype explicitly by @martenson in #206
- RAMClustR tool form improvement by @xtrojak in #220
- Bump RIAssigner to 0.3.2 by @hechth in #222
- MSMetaEnhancer log as an optional output by @xtrojak in #223
- Update CI to use planemo action by @martenson in #228
- Implemented basic RI filtering via matchms by @hechth in #227
- enable upload to MTS by @martenson in #231
- Update MSME to v0.2.0 by @xtrojak in #241
- upload all repos with green light to MTS by @martenson in #236
- waveica: remove obsolete file from shed.yml by @martenson in #245
- update biotransformer to 3.0 by @martenson in #235
- detect errors in all tools by @martenson in #247
- add new tool: msp_split by @wverastegui in #234
- Update MSME version to v0.2.1 by @xtrojak in #252
- Update RAMClustR to version 1.2.4 by @xtrojak in #254
- MSME matchms logging level by @xtrojak in #259
- MSME v0.2.2 by @xtrojak in #262
- Tool to merge MSP files by @wverastegui in #263
- Update MSME to v0.2.3 by @xtrojak in #267
- Add apLCMS Two-Step Hybrid wrapper by @maximskorik in #264
- apLCMS split to steps by @xtrojak in #265
- apLCMS: input collections by @xtrojak in #269
- RAMClustR: Add define experiment wrapper to shed by @xtrojak in #280
- galaxytools: update Zenodo badge in README.md by @maximskorik in #287
- matchms similarity: Added NeutralLossesCosine metric by @zargham-ahmad in #281
- matchms similarity: fix bug in RI filtering by @maximskorik in #300
- Update MSMetaEnhancer to v0.2.4 by @xtrojak in #297
- RAMClustR: removed quotes in SpecAbundance output by @zargham-ahmad in #303
- Fixed similarity bug for RI filtering & fixed formatter bug by @hechth in #302
- WaveICA: Separate input and formats support by @zargham-ahmad in #304
- matchms: switch to
Scores
objects by @maximskorik in #289 - matchms: add wrapper for matchMS networking subpackage by @maximskorik in #286
- Update MSMetaEnhancer to v0.2.5 by @xtrojak in #306
- Update version of actions in workflows by @xtrojak in #309
- Update MSME
v0.2.5
versiongalaxy1
by @xtrojak in #311 - msfinder wrapper by @zargham-ahmad in #313
- add wrapper for training Spec2Vec in Galaxy by @maximskorik in #314
- add mzml-validation tool by @maximskorik in #319
- Msfinder version update by @zargham-ahmad in #324
- recetox-aplcms
v0.10.1
by @xtrojak in #317 - Update help.xml by @xtrojak in #325
- RIAssigner 0.3.4 by @hechth in #331
- Update recetox-aplcms to v0.10.3 by @xtrojak in #329
- Reworked msp_split tool by @hechth in #343
- Tool to convert mass spectral libraries by @hechth in #339
- Updated recetox_aplcms_align_features with cluster by @zargham-ahmad in #345
- MSMetaEnhancer: get rid of Fontconfig error by @xtrojak in #347
- MSMetaEnhancer 0.3.0 by @xtrojak in #352
- Polish RMassBank by @xtrojak in #351
- Add matchms tool for metadata extraction by @xtrojak in #356
- Add matchms_metadata_export to shed by @xtrojak in #357
- update to recetox-aplcms 0.11.0 by @hechth in #353
- Fixed bug in recetox-aplcms remove_noise by @hechth in #362
- Updated matchms_convert tool by @zargham-ahmad in #358
- Updated Labels in recetox_aplcms tools by @zargham-ahmad in #346
- Update utils.R to fix bug introduced in PR merge by @hechth in #363
- Bump biotransformer to version 3.0_20230403 by @xtrojak in #360
- Remove aplcms_to_ramclustr_converter by @xtrojak in #366
- RAMClustR: update to 1.3.0 by @zargham-ahmad in #364
- Create add_issue_to_project.yml by @hechth in #344
- Create project_automation.yaml by @hechth in #372
- Update slash.yaml by @hechth in #377
- Add EDAM identifiers to recetox-aplcms suite by @hechth in #375
- Add EDAM identifiers to ramclustr by @zargham-ahmad in #376
- MSMetaEnhancer: Add EDAM identifiers by @xtrojak in #379
- BioTransformer: fix tests by @xtrojak in #385
- RIAssigner: Add EDAM identifiers by @xtrojak in #381
- Updated waveica for new outputs from recetox-aplcms by @zargham-ahmad in #378
- BioTransformer: Add EDAM identifiers by @xtrojak in #382
- Cleanup xmsannotator wrappers by @xtrojak in #367
New Contributors
- @wverastegui made their first contribution in #234
- @zargham-ahmad made their first contribution in #281
Full Changelog: v0.2.0...v0.3.0