Feature sklearn transformer by stewarthe6 · Pull Request #396 · ATOMScience-org/AMPL

Commits on Jan 21, 2025

New sklearn transformer wrapper
stewarthe6
committed
This should be an else if since it is an else if in the init and in untransform
stewarthe6
committed
Remove UMAP transformer since it is deprecated
stewarthe6
committed
deleted large chunk of commented code
stewarthe6
committed
Inserted Sklearn RobustScaler and PowerTransformer into the pipeline and added tests
stewarthe6
committed
Fixed argument name. Changed from robustscaler_with_scaling to robustscaler_unit_variance
stewarthe6
committed
Updated test to use mordred_filtered features. Added arguments to default true and default false lists
stewarthe6
committed

Commits on Jan 22, 2025

Commits on Jan 23, 2025

set default for PowerTransformer method
stewarthe6
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Commits on Mar 20, 2025

Commits on Mar 27, 2025

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Feature sklearn transformer#396

Feature sklearn transformer#396
stewarthe6 wants to merge 20 commits into1.7.0from
feature_sklearn_transformer

Commits on Jan 21, 2025

New sklearn transformer wrapper

This should be an else if since it is an else if in the init and in untransform

Remove UMAP transformer since it is deprecated

deleted large chunk of commented code

Inserted Sklearn RobustScaler and PowerTransformer into the pipeline and added tests

Fixed argument name. Changed from robustscaler_with_scaling to robustscaler_unit_variance

Updated test to use mordred_filtered features. Added arguments to default true and default false lists

Commits on Jan 22, 2025

feature_transformer_type should be feature_transform_type

unit_variance parameter must be a tuple

Convert quartiles

Updated rdkit to use AvgIpc for a numerically better behaved feature

Commits on Jan 23, 2025

set default for PowerTransformer method

Commits on Mar 20, 2025

Merge branch '1.7.0' into feature_sklearn_transformer

Update descriptor_sets_sources_by_descr_type.csv

Commits on Mar 27, 2025

rdkit_raw has the Ipc feature which causes RobustTransformer to return nans

Added SimpleImputer to help sort out nans in the dataset when used with RobustScaler and PowerTransformer. Updated documentation in related sections. Added functions to ModelFileReader to read out …

Set add_indicator to True so inverse transform works. Also cleaned up unused imports

Commits on Mar 31, 2025

default_true and default_false were being overwritten. Now calls set_default function for all sklearn parameters

Commits on Apr 2, 2025

Refactor so we wrap sklearn Pipelines instead of transformers to make it more generalizeable. Fixed tests. Fixed bug where the imputer_strategy parameter was not used

Commits on May 13, 2025

Merge branch '1.7.0' into feature_sklearn_transformer

Feature sklearn transformer#396stewarthe6 wants to merge 20 commits into1.7.0ATOMScience-org/AMPL:1.7.0from feature_sklearn_transformerATOMScience-org/AMPL:feature_sklearn_transformerCopy head branch name to clipboard

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Commits on Jan 21, 2025

Commits on Jan 22, 2025

Commits on Jan 23, 2025

Commits on Mar 20, 2025

Commits on Mar 27, 2025

Commits on Mar 31, 2025

Commits on Apr 2, 2025

Commits on May 13, 2025

Feature sklearn transformer#396
stewarthe6 wants to merge 20 commits into1.7.0from
feature_sklearn_transformer