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v2.0.1
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@martin-sicho martin-sicho released this 06 Jul 16:06
· 1597 commits to main since this release
v2.0.1
56ea83b

Change Log

From v2.0.0 to v2.0.1

Fixes

  • Requirement python version in pyproject.toml updated to 3.10, as older version of python don't support the type hinting used in the code.
  • Corrected type hinting for QSPRModel.handleInvalidsInPredictions, which resulted in an error when importing the package in google colab.
  • The predictMols method returned random predictions in v2.0.0 due to unpatched shuffling code. This has now been fixed.

Changes

New Features

  • raise error if search space for optuna optimization is missing search space type annotation or if type not in list
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