Basic Examples

Basic Examples

These notebooks demonstrate the basic functionality of BoFire, including:

  • Setting up reaction domains
  • Defining objectives
  • Running Bayesian optimization loops
  • Model fitting and analysis
  • Outlier detection and robust Gaussian Processes
  • Unknown constraint classification

Available Tutorials

Basic Terminology

Introduction to fundamental concepts and terminology used throughout BoFire.

Reaction Optimization Example

A comprehensive example showing how to optimize chemical reactions using BoFire.

Model Fitting and Analysis

Learn how to fit surrogate models and analyze their performance.

Outlier Detection and Robust GP

Techniques for detecting outliers and building robust Gaussian Process models.

Unknown Constraint Classification

Handling and classifying unknown constraints in optimization problems.