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Datasets For Fuzzy Clustering Related With Structural Bioinformatics Or Chemoinformatics

We want to test the performance of some fuzzy clustering algorithms some collaborators have developed. Our interest lies in structural biology or chemoinformatics so we are looking for 2D datasets related with these fields, and with a lot of data, where we could benchmark these algorithms, for instance data resulting from a protein folding simulation where one plots RMSD vs Energy (scoring function) and then clusters the islands. Do you know where can one find such datasets?

clustering structural

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