A user-friendly interface for Heterogeneous Catalysis Screening.

Overview

For theoretical details, access our published paper here.

Features

• Single output models
• Multiple outputs models
• Full report (PDF with infos)
• Reverse Engineering

Installation

• Clone CatS repo: git clone https://github.com/gtbriel/CatS.git or Code >> Download ZIP

• Copy CatSReactions folder to Documents directory

• Launch cats.exe

Contributing

For any reaction requests or suggestions, send an email for [email protected].

License

This software is licensed under the MIT © CatS.