Macs in Chemistry

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Diversity Genie


Diversity Genie is a desktop software tool which allows to analyze and manipulate chemical data. Its capabilities include:

  • mapping molecules and their properties with sammon embedding.

  • filtering and converting sets of molecules in SDF, SMILES, and InChI formats.

  • plotting histograms, scatter plots, and ROC curves.

  • Computing well-known molecular properties and merging CSV files.

  • Creating machine learning models using powerful gradient boosting methods.

Diversity Genie 3 is completely free to use by academia and for personal non-commercial use. You can download Mac OSX, Windows and Linux builds at


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