🌟 AI Enzyme Design Project

This repository contains a comprehensive tutorial for AI-based enzyme design and annotation. The project is organized into several lessons where students will learn how to extract features from enzymes and substrates, predict enzyme functions using machine learning models. It is based on the application of AI tools and bioinformatics methods in enzyme functional annotation and substrate binding.

▶ Table of Contents

• Introduction
• Start
• Course Lessons
  • Exercise 1: Enzyme and Substrate Feature Extraction
  • Exercise 2: Enzyme-Substrate Interaction Prediction
  • Exercise 3: Enzyme Kinetic Parameter Prediction
  • Exercise 4: Enzyme Function Annotation
  • Exercise 5: AI-assisted Enzyme Design
  • Exercise 6: Enzyme Design Reliability Validation

👀 Introduction

The project focuses on applying artificial intelligence (AI) to the prediction and annotation of enzyme functions, exploring the entire workflow from data collection, feature extraction, to model training and validation. Students will use various bioinformatics tools and machine learning techniques to predict enzyme functions, annotate proteins, and design new enzymes.

The project includes the following key tasks:

• Feature Extraction from enzyme sequences and substrates.
• Data Preprocessing and Clustering of sequences and molecular features.
• AI-based Model Training for enzyme function annotation.
• Enzyme and Substrate Binding Prediction using machine learning models.
• AI-assisted Enzyme Design using evolutionary algorithms.

🌱 Start

• See "软件教程.md" or "software_tutorial.md" for tutorial of software.

• Clone the repository to your server:

  git clone https://github.com/LiLabTsinghua/Course-AI-EnzymeDesign.git

• We recommend you to build an externel directory to save your jupyter notebook homework, and use the command below to update new exercises.

  cd Course-AI-EnzymeDesign/
  git pull