Supplementary material for the article "Machine Learning Model to Predict Saturation Vapor Pressures of Atmospheric Aerosol Constituents"
收藏DataCite Commons2024-08-22 更新2024-07-13 收录
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https://etsin.fairdata.fi/dataset/ab8befbc-39e1-454a-936e-bc275d870d8b
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资源简介：
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.
提供机构：
University of Jyväskylä
创建时间：
2024-06-25
