The HOPV datasets consist of the "Harvard Organic Photovoltaic Dataset. This dataset includes 350 small molecules and polymers that were utilized as p-type materials in OPVs. Experimental properties include: HOMO [a.u.], LUMO [a.u.], Electrochemical gap [a.u.], Optical gap [a.u.], Power conversion efficiency [%], Open circuit potential [V], Short circuit current density [mA/cm^2], and fill factor [%]. Theoretical calculations in the original dataset have been removed (for now).
Lopez, Steven A., et al. "The Harvard organic photovoltaic dataset." Scientific data 3.1 (2016): 1-7.
In this example, we train models on the HOPV dataset to predict these properties.