Software evaluation reveals seamless multidimensional data exploration and model analysis in quantum chemistry, highlighting modular cross-plot interaction.
$χ$iplot is an HTML5-based system for interactive exploration of data and machine learning models. A key aspect is interaction, not only for the interactive plots but also between plots. Even though $χ$iplot is not restricted to any single application domain, we have developed and tested it with domain experts in quantum chemistry to study molecular interactions and regression models. $χ$iplot can be run both locally and online in a web browser (keeping the data local). The plots and data can also easily be exported and shared. A modular structure also makes $χ$iplot optimal for developing machine learning and new interaction methods.
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Tanaka et al. (2023) studied this question.
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