RDKit MolsMatrixToGridImageRDKit

If you need to display molecules and associated data in a grid then Jeremy Monat’s MolsMatrixToGridImage is exactly what you need. To underline just how useful this is and to highlight how it simplifies code he has written a very nice blog post.

For a more detailed example have a look at Displaying Molecular Formulas in Molecular Grids, Tables, and Graphs for Elemental Analysis in this post.

There is also a guest post on the RDKit blog that illustrates several use cases including synthetic accessibility, maximum common substructure and retrosynthesis.

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