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v1.4.0

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@SebieF SebieF released this 31 Mar 13:29
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31.03.2026 - Version 1.4.0

  • Bioengineer: Adding new bioengineer module with base class, baselines, and tokenizer refactoring
  • ProteinGym: Added support for ProteinGym datasets (SC/NDCG calculation) in BioEngineer
  • Feature Scaling: Introduced automatic feature scaling for inference methods and added support for feature scaling
    in PBC tasks with standard and minmax scaling methods for per-sequence and per-residue embeddings
  • Added new metrics NDCG and balanced/per-class accuracy
  • AutoEval Enhancements:
    • Revamped documentation and added a dashboard for better visualization
    • Implemented new features such as report publishing, comparison of reports, and enhanced dashboard views
    • Added frontend support for loss curve visualization with indicators for the best epoch and improved ranking
      utilities
    • Fixed adaptation of updated PBC datasets with proper configuration handling
  • Refactoring and Fixes:
    • Adapted inference methods for new prediction types and structures with feature scaling support
    • Improved early stopping logic with a relative threshold method and updated related configurations
    • Enhanced tokenizer compatibility with Transformers v5 API
    • Various fixes, including handling deprecated tasks, improving plotting, and resolving minor bugs in the autoeval
      pipeline
  • Added new examples, such as plm_eval_zeroshot, and improved PBC task handling with updated configuration options
  • Refactored multiple components for better performance, consistency, and readability
  • Active Learning: Added Gaussian Processes (AL) support (wip)
  • Uncertainty Quantification: Added uncertainty to prediction sets for improved model confidence estimation