Feature-engine is a Python library with multiple transformers to engineer and select features for use in machine learning models. Feature-engine's transformers follow Scikit-learn's functionality with ...
The intended usage is to be able to add molecular vectorization directly into scikit-learn pipelines, so that the final model directly predict on RDKit molecules or SMILES strings As example with the ...
Simplify complex datasets using Principal Component Analysis (PCA) in Python. Great for dimensionality reduction and ...