Welcome to mols2grid’s documentation!

Contents

• 💡 Introduction
• 🐍 Installation
• 📜 Usage
• 🚀 Resources
• 👏 Acknowledgments
• 🎓 Citing
• ⚖ License

Notebooks

• Quickstart
• Customization
• Filtering
• Callbacks
  • Python
    • Basic print example
    • Displaying the 3D structure with py3Dmol
  • JavaScript
    • Basic JS example
    • Display a popup containing descriptors
    • Displaying the 3D structure with 3Dmol.js
    • Opening an external link

API Reference

• Simple usage
• MolGrid object
• Callbacks
• Utilities

Indices and tables

• Index

• Module Index

• Search Page