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A Web Resource for Standardized Benchmark Datasets, Metrics, and Rosetta Protocols for Macromolecular Modeling and Design.

PloS one - 1 Jan 2015

Ó Conchúir Shane, Barlow Kyle A, Pache Roland A, Ollikainen Noah, Kundert Kale, O'Meara Matthew J, Smith Colin A, Kortemme Tanja

Abstract excerpt

The development and validation of computational macromolecular modeling and design methods depend on suitable benchmark datasets and informative metrics for comparing protocols. In addition, if a method is intended to be adopted broadly in diverse biological applications, there needs to be information on appropriate parameters for each protocol, as well as metrics describing the expected accuracy compared to...

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PMID: 26335248
DOI: 10.1371/journal.pone.0130433
PMCID: PMC4559433

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

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