An End-to-End Data Science Workflow

This repository contains source code demonstrating a tidymodels machine learning pipeline for prediction of drug mutagenicity. See the following links to learn more about different components of the analysis:

Blog Post

A post on the Posit Blog titled "Pharmaceutical machine learning with tidymodels and Posit Connect," where we walk through the model development process at a high level.

Model Training Notebook

Annotated source code to propose, fit, and evaluate a number of machine learning models.

Slides

Materials for a presentation at the Posit Team Demo series.

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Repository Structure

• source/ contains scripts to propose, fit, and evaluate a number of machine learning models.
• slides/ contains Quarto source code for the linked slides.
• data/ contains summarized output from these scripts, for use in the write-up of the process.
• data-raw/ contains raw output from these scripts and is not tracked, as these files are quite large.

index.html contains unbranded source for the post on the Posit Blog.