CDDLeiden / QSPRpred

A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.

https://cddleiden.github.io/QSPRpred/docs/

MIT License

51 stars 7 forks source link

Create v3.0.1 Release #10

Closed HellevdM closed 9 months ago

HellevdM commented 9 months ago

Change Log

From v3.0.0 to v3.0.1

Fixes

Fixed a bug in QSPRDataset where property transformations were not applied.

Changes

renamed PandasDataTable.transform to PandasDataTable.transformProperties
moved imputeProperties, dropEmptyProperties and hasProperty from MoleculeTable to PandasDataTable.
removed getProperties, addProperty, removeProperty, now use PandasDataTable methods directly.

New Features

Removed Features