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This library is a compilation of the tools developed in the mljs organization. It is mainly maintained for use in the browser. If you are working with Node.js, you might prefer to add to your dependencies only the libraries that you need, as they are usually published to npm more often. We prefix all our npm package names with ml- (eg. ml-matrix) so they are easy to find.

The GNNPCSAFT Web App is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. More info on github repository.

...The repository aims to make advanced feature engineering concepts accessible to a broader audience by translating the content and organizing it into readable documentation and code examples. Feature engineering is a critical component of machine learning pipelines because it determines how raw data is transformed into features that algorithms can use effectively. The project explains techniques for creating, selecting, and transforming features in ways that improve model accuracy and robustness. It also discusses the role of domain knowledge, data preprocessing, and statistical reasoning in building effective machine learning models.