Model type
Biomolecular structure predictor; this record is the paper-specific evaluated configuration.
Configuration
Chai-1
This configuration predicts lipid–protein poses in the LiPP benchmark.
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Results/Curation of the LiPP Benchmark Set for Modeling Lipid–Protein Interactions (paragraph 1); Materials and Methods/Curation of the LiPP Test Set, Precutoff Set, and Similarity Assessments between the Different LiPP Data Sets (paragraph 2)How it worksEvaluated procedure (conceptual)
Conceptual input–method–output guide. Check the procedure text and linked evaluation for fitted components, additional inputs and exact settings.
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1)At a glance
Biological inputs
Protein amino-acid sequence and lipid SMILES/CCD identity
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Curation of the LiPP Benchmark Set (paragraph 1)Outputs
Lipid–protein complex or docking-pose coordinates
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods/Protein Structure Errors (paragraph 1); Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1)limited source coverage · Automated source review, 2026-09-16. All specifications and missing details
Evaluations and results
Release 2026-09-17-d277315f7d76 · 1 evaluation · 1 metric row. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| Chai-1: Lipid–protein binding pose Top-scoring pose; all-atom lipid RMSD below 2 Å. Independent external evaluation · Evaluation metadata: needs review | ||
| 60.7 Success rate, ligand all-atom RMSD <2 Å Unit: % · Direction: unknown | Uncertainty: 95% CI 55.2–66.0 Scored: Not reported · Eligible: Not reported | source checkedThe LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 2, Chai-1 row, LiPP (N=331) % Success Rate column Source checking is not independent reproduction. |
How it works
How the evaluated method works
Chai-1 jointly predicts the lipid–protein complex from sequence and molecular identity under the paper’s default co-folding settings.
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1)Underlying method and version boundaries
Chai-1 predicts biomolecular structures through the released inference implementation. Its input options, MSA/template use and sampling budget are part of each evaluated configuration.
Sources
github.com/chaidiscovery/chai-lab README.md · README.md; introduction, model description, pretrained-model and usage sections at pinned revisionWhat was evaluated
The linked evaluation record identifies Chai-1: Lipid–protein binding pose. Its dataset, split, adaptation and evidence origin remain attached to the reported results.
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · The named evaluation’s methods and comparison table; exact preserved evaluation IDs: evaluation-lit-041Strengths and limitations
Strengths and considerations
- Tests lipid chemistry and physical plausibility alongside RMSD.
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Results/Protein Prediction Errors in Structure Prediction Methods (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1)
Limitations and conditions
- Input information differs between docking and co-folding methods, and the post-cutoff test subset is much smaller than the full benchmark.
Sources
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Results/Protein Prediction Errors in Structure Prediction Methods (paragraph 1); Results/Curation of the LiPP Benchmark Set for Modeling Lipid–Protein Interactions (paragraph 3)
Profile review details
Primary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction.
Stable record: reported-model-eae60780097101Specifications
Inputs, training, access and other details
Explanatory profile: limited source coverage · Automated source review, 2026-09-16. Review applies to the cited claims; unresolved fields are listed below. Numerical results retain their own review status.
| Property | Description and evidence |
|---|---|
| Model type | Biomolecular structure predictor; this record is the paper-specific evaluated configuration.Sourcesgithub.com/chaidiscovery/chai-lab README.md · README.md model description |
| Architecture / procedure | Chai-1 jointly predicts the lipid–protein complex from sequence and molecular identity under the paper’s default co-folding settings.SourcesThe LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1) |
| Biological inputs | Protein amino-acid sequence and lipid SMILES/CCD identitySourcesThe LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Curation of the LiPP Benchmark Set (paragraph 1) |
| Outputs | Lipid–protein complex or docking-pose coordinatesSourcesThe LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods/Protein Structure Errors (paragraph 1); Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1) |
| Parameters | An aggregate parameter total for this exact evaluated configuration is not established by the inspected sources. · Not reported in inspected sourcesSources (2)The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods; github.com/chaidiscovery/chai-lab README.md · Materials and Methods/Curation of the LiPP Benchmark Set; Materials and Methods/Curation of the LiPP Test Set, Precutoff Set, and Similarity Assessments between the Different LiPP Data Sets; Materials and Methods/Protein Similarity; Materials and Methods/Lipid Similarity; Materials and Methods/Molecular Docking and Structure Prediction Protocols; Materials and Methods/AlphaFold 3; Materials and Methods/Chai-1; Materials and Methods/RoseTTAFold AA; inspected for aggregate parameter count (component sizes are not added without an exact configuration); README.md at pinned repository revision |
| Known versions / configuration | chai_lab0.2.0; ESM embeddings enabled;200 denoising steps,3 trunk recycles, seed 42, five diffusion samples ranked by ipTM.SourcesThe LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Materials and Methods / Chai-1 |
| Training data / fitting | The LiPP authors identify a PDB training cutoff of 21 January 2021 in Table 1. They evaluate the released predictor without retraining; this is the study’s description, not a new audit of every upstream training sample.SourcesThe LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 1, Chai-1 row; Molecular Docking and Structure Prediction Protocols |
| Context limits | A maximum input/context length for this exact evaluated configuration is not established by the inspected sources. · Not reported in inspected sourcesSources (2)The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods; github.com/chaidiscovery/chai-lab README.md · Materials and Methods/Curation of the LiPP Benchmark Set; Materials and Methods/Curation of the LiPP Test Set, Precutoff Set, and Similarity Assessments between the Different LiPP Data Sets; Materials and Methods/Protein Similarity; Materials and Methods/Lipid Similarity; Materials and Methods/Molecular Docking and Structure Prediction Protocols; Materials and Methods/AlphaFold 3; Materials and Methods/Chai-1; Materials and Methods/RoseTTAFold AA; inspected for explicit maximum input length (dataset lengths and family-wide limits are not substituted); README.md at pinned repository revision |
| Access | Official upstream implementation and usage documentation: https://github.com/chaidiscovery/chai-lab/blob/66c38d1fe5c6756a89ff8596b1dea87d305ec06f/README.md. This pinned documentation revision is not automatically the evaluated weight revision.Sourcesgithub.com/chaidiscovery/chai-lab README.md · README.md; installation, model download and usage instructions |
| Code licence | Apache 2.0 (upstream repository code at the cited revision; this does not establish every dependency or historical checkpoint licence).Sourcesgithub.com/chaidiscovery/chai-lab LICENSE · LICENSE; complete licence text |
| Weights licence | Apache 2.0 for both Chai-1 code and model weights, explicitly stated in the official README; paper-specific derived artifacts are separate.Sourcesgithub.com/chaidiscovery/chai-lab README.md · README.md; Licence section |
Evidence table
Inspect claims, sources and review details
Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.
One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
22 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Diagram caption Conceptual input–method–output guide. Check the procedure text and linked evaluation for fitted components, additional inputs and exact settings. Individual claims | The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1) Version: PMC13292216.1 | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Diagram steps ["Protein amino-acid sequence and lipid SMILES/CCD identity","Chai-1","Lipid–protein complex or docking-pose coordinates"] Individual claims | The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1) Version: PMC13292216.1 | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Diagram title Evaluated procedure (conceptual) Individual claims | The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1) Version: PMC13292216.1 | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Model type Biomolecular structure predictor; this record is the paper-specific evaluated configuration. Individual claims | github.com/chaidiscovery/chai-lab README.md README.md model description Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Architecture / procedure Chai-1 jointly predicts the lipid–protein complex from sequence and molecular identity under the paper’s default co-folding settings. Individual claims | The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1) Version: PMC13292216.1 | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Weights licence Apache 2.0 for both Chai-1 code and model weights, explicitly stated in the official README; paper-specific derived artifacts are separate. Individual claims | github.com/chaidiscovery/chai-lab README.md README.md; Licence section Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Biological inputs Protein amino-acid sequence and lipid SMILES/CCD identity Individual claims | The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Curation of the LiPP Benchmark Set (paragraph 1) Version: PMC13292216.1 | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Outputs Lipid–protein complex or docking-pose coordinates Individual claims | The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods Materials and Methods/Protein Structure Errors (paragraph 1); Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1) Version: PMC13292216.1 | source checked automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Parameters An aggregate parameter total for this exact evaluated configuration is not established by the inspected sources. Individual claims | github.com/chaidiscovery/chai-lab README.md Materials and Methods/Curation of the LiPP Benchmark Set; Materials and Methods/Curation of the LiPP Test Set, Precutoff Set, and Similarity Assessments between the Different LiPP Data Sets; Materials and Methods/Protein Similarity; Materials and Methods/Lipid Similarity; Materials and Methods/Molecular Docking and Structure Prediction Protocols; Materials and Methods/AlphaFold 3; Materials and Methods/Chai-1; Materials and Methods/RoseTTAFold AA; inspected for aggregate parameter count (component sizes are not added without an exact configuration); README.md at pinned repository revision Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | unreported automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Parameters An aggregate parameter total for this exact evaluated configuration is not established by the inspected sources. Individual claims | The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods Materials and Methods/Curation of the LiPP Benchmark Set; Materials and Methods/Curation of the LiPP Test Set, Precutoff Set, and Similarity Assessments between the Different LiPP Data Sets; Materials and Methods/Protein Similarity; Materials and Methods/Lipid Similarity; Materials and Methods/Molecular Docking and Structure Prediction Protocols; Materials and Methods/AlphaFold 3; Materials and Methods/Chai-1; Materials and Methods/RoseTTAFold AA; inspected for aggregate parameter count (component sizes are not added without an exact configuration); README.md at pinned repository revision Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: PMC13292216.1 | unreported automated source review · 2026-09-16 Audit detailsPrimary full text and the available official implementation/model documentation were inspected. Explanatory claims are source-backed; unresolved exact-configuration metadata is labelled explicitly. This is automated review, not a human review or independent benchmark reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
Sources and history
Release 2026-09-17-d277315f7d76 · Record review: needs review
3 source records and release history
- The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Original source · PMC13292216.1
- github.com/chaidiscovery/chai-lab README.md · Original source · 66c38d1fe5c6756a89ff8596b1dea87d305ec06f
- github.com/chaidiscovery/chai-lab LICENSE · Original source · 66c38d1fe5c6756a89ff8596b1dea87d305ec06f
Technical metadata and extraction receipts
Stable ID: reported-model-eae60780097101
- areas
- molecular-interactions
- entity level
- method
- version
- Not reported
- reported name
- Chai-1
- historical missing metadata
- version: not_reported_in_legacy_extract; checkpoint revision: not_reported_in_legacy_extract; training data: not_reported_in_legacy_extract; licence: not_reported_in_legacy_extract
- metadata review scope
- historical_missing_metadata preserves the original discovery state. Current descriptive evidence and missingness are recorded in profile.facts; numerical-result review is separate.
- legacy kinds
- model
- entity classification
- review date: 2026-09-17; rationale: This source-scoped entry preserves the method/configuration actually named in an evaluation. It is neither a global family identity nor proof of an immutable checkpoint; the linked evaluation retains adaptation, fitting and scoring details.; source ids: lipp-2026; evidence-reported-base-chai-readme-md; source locator: Materials and Methods/Molecular Docking and Structure Prediction Protocols (paragraph 1); Materials and Methods/Protein Structure Errors (paragraph 1) | README.md model description | Results/Curation of the LiPP Benchmark Set for Modeling Lipid–Protein Interactions (paragraph 1); Materials and Methods/Curation of the LiPP Test Set, Precutoff Set, and Similarity Assessments between the Different LiPP Data Sets (paragraph 2); ambiguities: Configuration means the source-labelled evaluated identity. It does not establish missing checkpoint hashes, default settings or equivalence to same-named records in other papers.