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Machine-based learning of solubility

This repository is the archival work that me and Gabriele did for professor Zhuang Bilin over summer. We tried to develop methods to see whether 2 substances are soluble with each other. It is seperated into the following sections:

Miscibility

We compared the predictive power of molecular models in determining whether 2 liquids are soluble. There were both computational and analytical methods used.

Solubility

We used machine learning methods to come up with a model that can accurately predict the solubility of a given liquid. However, code for this is still under process.

Note: This is an archival (outdated) repository and is still under development and review. In addition, the material here is used for a publication that is under the review process. Therefore, please keep the code to yourselves!

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Code used for Summer Research Project

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