This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• 1_Fragment_Pool.zip: Folder containing reFORMED (cores and substituents) as well as the uncurated fragments.
• 2_External_Test_Set.zip: Folder containing the TD-DFT calculations of the external test set.
• 3_Singlet_Fission_Candidates_pruned_adiabatic.zip: Folder containing the TD-DFT calculations of the (pruned) top candidates from the ucGA, as shown in Figure 7.
• 4_Screening_Based_on_Structure_Property_Relationships.zip: Folder containing the TD-DFT calculations of top candidates from the ML screening, as shown in Figure 8.
• 5_Diradical.zip: Folder containing the xyz files for the diradical analysis.
• Data_FORMED.csv: CSV file containing the tabulated properties for the FORMED database, including SMILES.
• READ_ME.txt: READ_ME