DiChem: The App for the properties of diatomic molecules

We present DiChem, an app dedicated to the spectroscopy of diatomic molecules from atomic properties. The app displays a user-friendly, interactive periodic table that includes a database of atomic properties and spectroscopic constants for diatomic molecules in the ground state. The database contains experimental spectroscopic constant data for about 300 molecules and machine-learning predictions for the rest. The user can pick two atoms from the periodic table. If the molecule has been previously characterized in the lab, the user can access the data and their sources. On the contrary, for an entirely new molecule, our AI will predict its spectroscopic properties, including an error bar that quantifies the prediction's accuracy.

 In addition, the App provides various functions, such as plotting tools for data visualization, a search engine for finding specific molecules, trivia for active learning, and a chatbot to answer any question about the atomic and molecular properties of diatomics. We also provide links of references for the experimental data. Users can also download the entire database or specific attributes of specific atoms or molecules to CSV files. The DiChem app is now available in Apple's App Store.