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Bio-ensemble analysis with extended similarity

About

This provides analysis scripts for

"Improving the analysis of biological ensembles through extended similarity measures", L. Chang, A. Perez, R. A. Miranda-Quintana. (in preparation)

Extended similarity calculation is based on https://github.com/ramirandaq/MultipleComparisons

Reference

"Improving the analysis of biological ensembles through extended similarity measures", L. Chang, A. Perez, R. A. Miranda-Quintana. (in preparation)

"Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics", R. A. Miranda-Quintana, D. Bajusz, A. Rácz, K. Héberger; J. Cheminformatics 13 (32), 2021, https://doi.org/10.1186/s13321-021-00505-3

"Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection", R. A. Miranda-Quintana, A. Rácz, D. Bajusz, K. Héberger; J. Cheminformatics 13 (33), 2021, https://doi.org/10.1186/s13321-021-00504-4