1_Fragment_Pool
Folder containing reFORMED (cores and substituents) as well as the uncurated fragments.	

2_External_Test_Set
Folder containing the TD-DFT calculations of the external test set.	

3_Singlet_Fission_Candidates_pruned_adiabatic
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
Folder containing the TD-DFT calculations of top candidates from the ML screening, as shown in Figure 8.	

5_Diradical
Folder containing the xyz files for the diradical analysis.	

Data_FORMED.csv
CSV file containing the tabulated properties for the FORMED database, including SMILES.