This is supplementary dataset for article "Machine Learning Model to Predict Saturation Vapor Pressures of Atmospheric Aerosol Constituents". It contains following elements: - Machine learning models (in Python) for predicting saturation vapor pressures using cosmo-files (COSMO-ML-psat.zip/cosmo-ml) - cosmo-files of the training data (COSMO-ML-psat.zip/cosmo-files) - cosmo-files of all conformers of the training compounds (cosmo-files-all-conformers.zip) All cosmo-files were calculated at the BP-TZVPD-FINE level of theory using TURBOMOLE version 7.7.

2024