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 display() save() get_selection() MolGrid object MolGrid Callbacks external_link() info() make_popup_callback() show_3d() Utilities sdf_to_dataframe() Indices and tables# Index Module Index Search Page