Interactive Map for: Inorganic synthesis-structure maps in zeolites with ML and crystallographic distances
This repository contains an interactive visualization of the IZA (International Zeolite Association) Distance Matrix computed for the manuscript: Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances
The visualization represents zeolite frameworks as nodes, with links connecting similar frameworks. The similarity is truncated to show only the selected number of nearest neighbors. This tool allows users to explore the structural relationships between different zeolite frameworks interactively.
- Visit the GitHub Pages site to view the visualization.
- Adjust the number of nearest neighbors using the slider on the left sidebar. The recommended setting is something between 2-6 nearest neighbors to aid the visualization.
- Search for specific frameworks by entering labels in the search box (space- or comma-separated)
- Find the shortest path between two frameworks by entering their labels in the path search box.
- Use the "Replot Graph" button to rearrange the layout as needed. Sometimes nodes and edges can get on the way, so just refresh the graph if they are inconveniently placed.
- Zoom and pan the visualization to explore the map.
- Interactive graph visualization of zeolite frameworks
- Adjustable number of nearest neighbors
- Search functionality for specific frameworks
- Shortest path finding between two frameworks
- Color-coded nodes and links for easy interpretation
This data has been produced for the following paper:
@article{SchwalbeKoda2023Inorganic,
title = {Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances},
author = {Schwalbe-Koda, Daniel, Widdowson, Daniel E., Pham, Tuan Anh, Kurlin, Vitaliy E.},
year = {2023},
journal = {Digital Discovery},
volume = {2},
pages = {1911-1924},
doi = {10.1039/D3DD00134B},
url = {https://doi.org/10.1039/D3DD00134B},
arxiv = {2307.10935},
}