Various figures, both interactive and non-interactive, related to the DiSCoVeR algorithm as applied to compounds and clusters. For more details, see the ChemRXiv paper.

Compound-wise and cluster-wise interactive figures produced via Plotly.

Hover your mouse over datapoints to see more information (e.g. composition, bulk modulus, cluster ID). Alternatively, you can download the html file at mat_discover/figures and open it in your browser of choice.


Pareto Front Training Contribution to Validation Log Density Proxy