Chai-1 (LiPP evaluation)
Configuration of Chai-1: Trained on PDB structures with a training cutoff date of 2021-01-21.
Overview
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Evaluations and results
5 evaluations · 5 results. Different protocols are not a single leaderboard.
Sorted by Ligand RMSD under 2a rate (ligand pose RMSD below 2 Angstrom, as reported in the cited literature; PoseBusters v1) (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.
All 5 result rows with coverage, uncertainty and sources
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| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: Chai-1 (LiPP evaluation) | Protocol: LiPP Table 3: RMSD below 2 Angstrom and PoseBusters valid, Full LiPP set Dataset: LiPP benchmark set (331 lipid-protein complexes) | 39.5 {34.2–45.0}% Success rate (RMSD below 2 Angstrom and PoseBusters valid; Full LiPP set) percent · higher Uncertainty: 95% CI 34.2 to 45.0. Exact binomial interval (table footnote a: 'lower and upper bounds of the 95% confidence intervals calculated with exact binomial distribution') Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceChai-1 on Full LiPP set (RMSD below 2 Angstrom and PoseBusters valid) lit-structure-20261011-lipp-protocol-pb-valid-lipp-331 Aggregation: Not reported The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 3, row 'Chai-1', column 'LiPP (N = 331) % Success Rate' |
| Configuration: Chai-1 (LiPP evaluation) | Protocol: LiPP Table 3: RMSD below 2 Angstrom and PoseBusters valid, LiPP test set Dataset: LiPP test set (36 complexes released after every tool's cutoff) | 16.6 {6.3–32.8}% Success rate (RMSD below 2 Angstrom and PoseBusters valid; LiPP test set) percent · higher Uncertainty: 95% CI 6.3 to 32.8. Exact binomial interval (table footnote a: 'lower and upper bounds of the 95% confidence intervals calculated with exact binomial distribution') Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceChai-1 on LiPP test set (RMSD below 2 Angstrom and PoseBusters valid) lit-structure-20261011-lipp-protocol-pb-valid-lipp-test-36 Aggregation: Not reported The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 3, row 'Chai-1', column 'LiPP test set (N = 36) % Success Rate' |
| Configuration: Chai-1 (LiPP evaluation) | Protocol: LiPP Table 2: lipid pose all-atom RMSD below 2 Angstrom, Full LiPP set Dataset: LiPP benchmark set (331 lipid-protein complexes) | 60.7 {55.2–66.0}% Ligand RMSD under 2a rate (lipid pose all-atom RMSD below 2 Angstrom; Full LiPP set) percent · higher Uncertainty: 95% CI 55.2 to 66.0. Exact binomial interval (table footnote a: 'lower and upper bounds of the 95% confidence intervals calculated with exact binomial distribution') Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceChai-1 on Full LiPP set (lipid pose all-atom RMSD below 2 Angstrom) lit-structure-20261011-lipp-protocol-rmsd-lipp-331 Aggregation: Not reported The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 2, row 'Chai-1', column 'LiPP (N = 331) % Success Rate' |
| Configuration: Chai-1 (LiPP evaluation) | Protocol: LiPP Table 2: lipid pose all-atom RMSD below 2 Angstrom, LiPP test set Dataset: LiPP test set (36 complexes released after every tool's cutoff) | 36.1 {20.8–53.7}% Ligand RMSD under 2a rate (lipid pose all-atom RMSD below 2 Angstrom; LiPP test set) percent · higher Uncertainty: 95% CI 20.8 to 53.7. Exact binomial interval (table footnote a: 'lower and upper bounds of the 95% confidence intervals calculated with exact binomial distribution') Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceChai-1 on LiPP test set (lipid pose all-atom RMSD below 2 Angstrom) lit-structure-20261011-lipp-protocol-rmsd-lipp-test-36 Aggregation: Not reported The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 2, row 'Chai-1', column 'LiPP test set (N = 36) % Success Rate' |
| Configuration: Chai-1 (LiPP evaluation) | Protocol: LiPP Table 2: lipid pose all-atom RMSD below 2 Angstrom, PoseBusters v1 Dataset: PoseBusters v1 (428 protein-small molecule complexes) | 77% Ligand RMSD under 2a rate (ligand pose RMSD below 2 Angstrom, as reported in the cited literature; PoseBusters v1) percent · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceChai-1 on PoseBusters v1 (lipid pose all-atom RMSD below 2 Angstrom) lit-structure-20261011-lipp-protocol-rmsd-posebusters-v1-428 Aggregation: Not reported The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 2, row 'Chai-1', column 'PoseBusters v1 (N = 428) % Success Rate' |
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Evidence
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Evidence table
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Sources and history
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
1 source record and release history
- The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Original source · PMC13292216.1
Technical metadata and extraction receipts
Stable ID: lit-structure-20261011-lipp-config-chai-1
- areas
- protein-structure; molecular-interactions
- contexts
- research
- method types
- foundation_model
- reported name
- Chai-1
- method role
- co-folding
- training setting
- Trained on PDB structures with a training cutoff date of 2021-01-21
- foundation model eligible
- true
- source locator
- Table 1, row 'Chai-1'; Tables 2 and 3 row labels
- missing metadata
- version: reason: unreported; note: Tool versions are not printed in Tables 1 to 3
- provenance note
- Chai-1 as run on the LiPP benchmark set by the LiPP authors.
Related records
- configuration of: Chai-1
- system: Chai-1 on Full LiPP set (RMSD below 2 Angstrom and PoseBusters valid)
- system: Chai-1 on LiPP test set (RMSD below 2 Angstrom and PoseBusters valid)
- system: Chai-1 on Full LiPP set (lipid pose all-atom RMSD below 2 Angstrom)
- system: Chai-1 on LiPP test set (lipid pose all-atom RMSD below 2 Angstrom)
- system: Chai-1 on PoseBusters v1 (lipid pose all-atom RMSD below 2 Angstrom)