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Merge release branch for v2.0.0#23

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RalfG merged 64 commits into
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release/2.0
Jul 13, 2026
Merged

Merge release branch for v2.0.0#23
RalfG merged 64 commits into
mainfrom
release/2.0

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@RalfG

@RalfG RalfG commented Jul 13, 2026

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Added

  • New core module with predict and predict_and_calibrate as main public API
  • New calibration module replacing calibrate, with Calibration and LinearCCSCalibration classes
  • New constants module for default model paths and configuration
  • New exceptions module (public, replacing private _exceptions)
  • New _model_ops module for PyTorch model loading and inference
  • New _io_helpers module (split from utils) for file parsing and I/O
  • Architecture subpackage (_architectures) with modular components: activations, blocks, callbacks, losses, helpers
  • Multi-conformer CCS prediction support (IM2DeepMulti)
  • PyTorch Lightning-based model architectures replacing Keras models
  • num_threads argument to control Torch CPU parallelization
  • Profiling support in CLI (--profile flag)
  • Test suite with tests for calibration, CLI, constants, core, exceptions, integration, losses, model ops, and utils
  • CI workflow for tests and type checking
  • This CHANGELOG file

Changed

  • Breaking: Public API changed from predict_ccs/linear_calibration to predict/predict_and_calibrate
  • Breaking: Minimum Python version raised from 3.10 to 3.11
  • Breaking: Switched from Keras/TensorFlow models to PyTorch Lightning models (.ckpt)
  • Switched build system from setuptools to uv
  • CLI restructured as click command group with predict as default command
  • Renamed reference data files for clarity
  • Linting moved from black/isort to ruff
  • Upgrade deeplc dependency to deeplc>=4.0.0b1,<5
  • Added explicit lower/upper version bounds to all core dependencies.

Removed

  • im2deep.py module (replaced by core.py)
  • calibrate.py module (replaced by calibration.py)
  • predict_multi.py module (functionality merged into architecture subpackage)
  • Keras model files
  • Removed pinned numpy==1.26.0 dependency
  • Removed im2deeptrainer optional dependency

RalfG and others added 28 commits March 17, 2026 18:08
Co-authored-by: Copilot Autofix powered by AI <175728472+Copilot@users.noreply.github.com>
Fix calibration logic by removing error and multiconformer output in csv
Replace blanket type: ignore directives with proper type narrowing
(profiler None check, dict key access) and add ty-specific suppression
for the optional wandb import.
Add num_threads argument to predict for Torch CPU parallelization
Set up Sphinx with RTD theme, autodoc, sphinx-click, and intersphinx.
Auto-generate API reference for public modules and CLI docs from Click
decorators. Expand README installation section and use LaTeX math
formatting in utils docstrings.
@RalfG
RalfG merged commit 379c260 into main Jul 13, 2026
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@RalfG
RalfG deleted the release/2.0 branch July 13, 2026 13:57
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2 participants