From ee0f349076147d1fb6a878a06e234b2ca018079f Mon Sep 17 00:00:00 2001 From: Martin Fitzner Date: Fri, 1 Dec 2023 19:34:48 +0100 Subject: [PATCH 1/2] Add edbo and data references --- baybe/utils/dataframe.py | 5 ++++- examples/Backtesting/full_lookup.py | 2 ++ 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/baybe/utils/dataframe.py b/baybe/utils/dataframe.py index 1bc0be229..2269f8440 100644 --- a/baybe/utils/dataframe.py +++ b/baybe/utils/dataframe.py @@ -278,7 +278,10 @@ def df_drop_string_columns( def df_uncorrelated_features( df: pd.DataFrame, exclude_list: Optional[List[str]] = None, threshold: float = 0.7 ): - """Return an uncorrelated set of features. Adapted from edbo. + """Return an uncorrelated set of features. + + Adapted from edbo (https://github.com/b-shields/edbo , + https://doi.org/10.1038/s41586-021-03213-y). Args: df: The dataframe to be cleaned diff --git a/examples/Backtesting/full_lookup.py b/examples/Backtesting/full_lookup.py index cb32a6d07..536863d6d 100644 --- a/examples/Backtesting/full_lookup.py +++ b/examples/Backtesting/full_lookup.py @@ -32,6 +32,8 @@ #### Lookup functionality and data creation # We read the information about the conducted experiments from a .xlsx-file. +# This data set was obtained from [Shields, B.J., Stevens et al. Nature 590, 89–96 (2021)](https://doi.org/10.1038/s41586-021-03213-y) and contains measurements of a reaction yield, +# varying typical reaction conditions. # Depending on your system and settings, you might need to slightly adjust the following paths. # The reason is that it depends on the folder in which you execute the `python` call. # This code assumes that you call `python` either from the repository root folder or this folder. From 6fedf3d1c7ca586dbb1bfd1285b0ac46ef5f9532 Mon Sep 17 00:00:00 2001 From: Martin Fitzner Date: Fri, 1 Dec 2023 19:38:42 +0100 Subject: [PATCH 2/2] Update CHANGELOG.md --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 8df7f5b79..f12dd40c4 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -14,6 +14,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Project metadata to pyproject.toml - PyPI release pipeline - Favicon for homepage +- More literature references ### Changed - Reworked README for GitHub landing page