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