v1.8.0

What's Changed

Bug fixes

• BUG in timstof transpose function by @GeorgWa in #307
• BUG multiplexing fails due to missing column by @GeorgWa in #314
• BUG max-lr not used correctly by @GeorgWa in #311

New Features

• Add unknown mods by @GeorgWa in #291
• Add automatic calibration by @odespard in #293
• timing manager by @odespard in #306
• Multiplex spectral library by @GeorgWa in #292
• FEAT enable selection of alternative peptdeep models by @GeorgWa in #312

Other Changes / unlabeled

• Selecting classifier version by @odespard in #282
• MS2 Optimizer by @odespard in #283
• Getting the right classifier version in the optimizer by @odespard in #287
• Transfer learning documentation by @mo-sameh in #266
• make error handling automation-friendly by @mschwoer in #279
• raise on missing checkpoint path by @GeorgWa in #290
• add parameters to stat.tsv by @odespard in #302
• Fix slurm install instructions by @mschwoer in #294
• fix test case data by @mschwoer in #298
• #299: add slurm e2e script by @mschwoer in #300
• 296 reduce alphadia output by @mschwoer in #297
• Calibrate optimization lock only during optimization by @odespard in #301
• extend transfer-learning to include mobility by @mo-sameh in #303
• New dynamic lock with RT proportion by @odespard in #316
• New dynamic optimization lock by @odespard in #309
• Calibrate relevant subset in dynamic lock by @odespard in #317
• Make optimization configurable by @odespard in #318
• Refactor parameter proposal by @odespard in #319
• Fix timing manager by @odespard in #321
• Make convergence configurable by @odespard in #322
• Make fragment calibration configurable by @odespard in #323
• New RT convergence criteria by @odespard in #320
• Fix optimizer plotting by @odespard in #325
• Refactor search parameter optimization by @odespard in #324
• allow definition of target RT as fraction by @odespard in #328
• fix error with config by @odespard in #327
• Use batch index at optimum by @odespard in #329
• Additional convergence criterion by @odespard in #330
• Refactor convergence rules by @odespard in #331
• make automatic default by @odespard in #336
• updated documentation by @odespard in #334
• Proceed if insufficient precursors by @odespard in #333
• feat: save stats of transfer learning to disk by @mo-sameh in #338
• Fix incorrect mobility outputaccumulator by @mo-sameh in #337
• Refactor Finetune Manager by @mo-sameh in #310
• Adapt to new release workflow by @mschwoer in #326
• bump version to 1.8.0 by @mschwoer in #342
• GUI fixes by @GeorgWa in #343
• Release 1.8.0 by @GeorgWa in #344

New Contributors

• @odespard made their first contribution in #282

Full Changelog: v1.7.2...v1.8.0