In extracting material properties (HOMO, LUMO, Eg opt ), we observed that multiple values were reported for the same material. This may arise from a variety of factors: differences in purity, dispersity (in the case of polymers), measurement method, or measurement error. Using the reported values would result in data points with the sample molecular representation (i.e. molecular structure) having multiple different property values. Accounting for such variation in a ML model is nontrivial, and disentangling variations from experimental noise and differences in material composition was not possible. For materials with variation in the reported material properties, the mean was taken as the corresponding feature value. Some materials had identical values reported multiple times. Upon further investigation, this repetition was due to multiple papers citing a single source-often from the literature describing the synthesis of the material. If the repetition is greater than 10 times, only one of the entries is used in the calculation of the mean. Upon further investigation, it was determined that this was due to papers citing a single source (often the material property values reported in the paper describing the initial synthesis).