Merge pull request #20 from emdgroup/repo/literature_references

Add Literature References

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

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

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.