Methanation Code and Data

This repository contains the dataset and code used in the study "Data-Driven Design of Ni-Based Catalysts for CO₂ Methanation Using Interpretable Machine Learning"

Repository Structure

• data/: Contains the dataset (data_art1.xlsx).
• scripts/: Python scripts for:
  • Data preprocessing (preprocess.py).
  • Model training and evaluation (models.py).
  • Interpretability analysis (interpretability.py).

How to Use

1. Clone this repository:

   git clone https://github.com/lamaramaciel/methanation-code-data.git
   pip install -r requirements.txt
   python scripts/preprocess.py
   python scripts/models.py
   python scripts/interpretability.py