遇见数据集

Dataset of "COSMOSol: Efficient Solvent Screening for Polymer Additives with Open-Source COSMO-SAC"

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Zenodo2026-02-26 更新2026-05-26 收录
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资源简介:

The dataset contains an archival version of COSMOSol - a computational tool for predicting thermodynamic properties and the solubility of solid organic substances in solvents, and for performing solvent screening using the COSMO-SAC model. It includes all COSMOSol source codes and input data, and reproduces the exact version used to generate the results presented in the associated manuscript (as of 2026-02-26; assuming that the COSMO-SAC package version 1.0.1 is used). COSMOSol repository at GitHub: https://github.com/AdamBouz/COSMOSol. Comprehensive documentation is included within the package and available on the GitHub page.

提供机构:
Zenodo
创建时间:
2026-02-26
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