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v1.3.0
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@martin-sicho martin-sicho released this 02 Mar 14:53
· 2101 commits to main since this release
v1.3.0
161fc21

Change Log

From v1.2.0 to v1.3.0

Fixes

  • problems with PaDEL descriptors and fingerprints on Linux were fixed

Changes

  • QSPRModel metadata now contains two extra entries:
    1. model_class - the fully qualified class name of the model
    2. version - the version of QSPRPred used to save the model
    • this change is not compatible with older files, but you can manually add these two entries and it should work fine in the newer version

New Features

  • The QSPRModel.fromFile() method can now instantiate a model from a file directly without knowing the underlying model type. It simply uses the class path stored in the model metadata file now.
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