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Tutorials

Step-by-step tutorials demonstrating ASCICat workflows for common use cases.

Available Tutorials

  • HER Catalyst Screening

    Complete workflow for hydrogen evolution reaction screening

    HER Tutorial

  • CO2RR Multi-Pathway Analysis

    Screen catalysts across multiple CO₂ reduction pathways

    CO2RR Tutorial

  • Figure Generation

    Generate high-quality figures for your research

    Figures Tutorial

  • Sensitivity Analysis

    Analyze weight dependencies and ranking robustness

    Sensitivity Tutorial

  • ASCICat vs Pareto

    Compare ASCI ranking with Pareto frontier analysis

    Comparison Tutorial

Interactive Notebooks

Run tutorials directly in your browser:

Tutorial Colab Binder
Introduction Colab Binder
HER Screening Colab Binder
CO2RR Analysis Colab Binder
Visualization Colab Binder
Sensitivity Colab Binder

Prerequisites

Before starting the tutorials:

  1. Install ASCICat 

    pip install ascicat

  2. Download sample data (included with package)

  3. Basic Python knowledge - familiarity with pandas, numpy, matplotlib

Learning Path

Beginner

  1. Start with HER Catalyst Screening - basic workflow
  2. Learn Figure Generation - visualization basics

Intermediate

  1. Explore CO2RR Multi-Pathway - advanced screening
  2. Master Sensitivity Analysis - robustness evaluation

Advanced

  1. Compare ASCICat vs Pareto - methodological insights
  2. Create Custom Reactions - extend to new chemistries

Example Files

All tutorials have corresponding Python scripts in examples/:

examples/
├── example_1_HER_screening.py
├── example_2_CO2RR_screening.py
├── example_3_visualization.py
├── example_4_sensitivity_analysis.py
└── example_5_ascicat_vs_pareto.py

Run any example:

cd ASCICat
python examples/example_1_HER_screening.py