SHAP integration

[SamTov]

What feature would you like to see added? If we have a database full of simulation parameters as well as a project class over-seeing the results of many experiments then there it would be interesting to integrate MDSuite with some advanced data clustering and interpretation methods. SHAP provides the tools to understand the impact of variables on data and provide information on what the study next.

We can also look into some other data exploration tools.

Describe how this feature would improve the code This would open up some incredible options for data exploration within the MDSuite framework.

Describe how this feature would work/possible implementations We need to address Issue #242 in a way that allows us to collect large amounts of data on experiments as well as results of analysis.