Predicted room temperature electrical conductivity of molecular mixtures

In the associated manuscript, we propose the MolSets machine learning model for molecular mixture properties. Using the MolSets architecture, we train a model on a dataset curated by Bradford et al. (2023) to predict the room temperature (298 K) electrical conductivity of mixtures. Here, we report the model-predicted conductivities of all equal-weight binary mixtures among 28 types of small molecules, combined with 30 types of Li+ salts (1 mol·kg-1), totaling 11,340 candidate lithium battery electrolytes. Note that the current model has a limitation of not taking salt solubility into account. This dataset is for demonstration purposes and should be used with caution.