a. Submit a job from the input in test.csv (or using unique IDs, this will read a database file, which i will supply)
b. Run the pipeline using the input from step a.
c. Extract the properties and return the property people are interested (may be dropdown for set of properties or list all properties for each molecule)
d. Visualize the calculated spectra for each molecule
e. Visualize the molecules using Jmol from SMILES strings or optimized geometry (*.dat file)
f. store the calculated properties and UV spectra in database