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Rosetta (Pancotti et al. 2022)

Rosetta as evaluated in the cited comparison.

Overview

Rosetta as evaluated in the cited comparison.

Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.

Evaluations and results

1 evaluation · 11 results. Different protocols are not a single leaderboard.

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Exact evaluated configurations and original reported results
Tested configuration	Protocol and dataset	Finding	Evidence and details
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	–0.72 pearson-correlation unitless · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Antisimmetry r(d-r)'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	–0.61 antisymmetry-bias kilocalorie-per-mole · unknown Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Bias'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	2.08 mean-absolute-error kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Direct MAE'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	0.39 pearson-correlation unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Direct r'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	2.7 root-mean-squared-error kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Direct RMSE'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	2.02 mean-absolute-error kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Reverse MAE'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	0.4 pearson-correlation unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Reverse r'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	2.68 root-mean-squared-error kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Reverse RMSE'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	2.05 mean-absolute-error kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Total MAE'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	0.47 pearson-correlation unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Total r'
Configuration: Rosetta (Pancotti et al. 2022)	Protocol: S669 direct and reverse ddG prediction (Pancotti et al. 2022 Table 1) Dataset: S669: 669 single-point variants from ThermoMutDB in proteins under 25% identity to S2648 and VariBench, with reverse variants	2.69 root-mean-squared-error kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Independent external evaluation · Source checked Methods, coverage and source Rosetta on S669 (Pancotti et al. 2022) protein-stability-20261009-protocol-pancotti2022-s669 Aggregation: Not reported Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Table 1, row 'Rosetta', column 'Total RMSE'

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Predicting protein stability changes upon single-point mutation: a thorough comparison of the available tools on a new dataset · Original source · Briefings in Bioinformatics 23(2):bbab555, published 2022-01-11; PMC8921618 full-text XML

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Technical metadata and extraction receipts

Stable ID: protein-stability-20261009-config-pancotti2022-rosetta

areas: proteins-complexes
contexts: research
method types: conventional_pipeline
reported name: Rosetta
foundation model eligible: false
protocol: Default parameters; structure-based (Table 1 group)
source locator: Section 2.2 'Evaluated methods'; Table 1
missing metadata: version: reason: unextracted; note: Versions and servers are in the Supplementary Materials, not read in this pass

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configuration of: Rosetta
system: Rosetta on S669 (Pancotti et al. 2022)

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