ChemXploreML is a general-purpose desktop application for integrating machine learning into the chemical research workflow. It is designed to be user-friendly and accessible to researchers with varying levels of programming experience. The application provides a graphical user interface (GUI) that allows users to easily load, visualize, and analyze chemical data using various machine learning algorithms.
It provided built-in support for Mol2Vec and VICGAE for embedding molecular structures, and more algorithms are planned to be added in the future. The application also includes a variety of visualization tools to help users interpret and understand their results.
The application is built using Tauri, making it cross-platform and easy to install. It is designed to be modular and extensible, allowing users to add their own algorithms and visualization tools as needed.