Model type
Multimodal biomolecular structure predictor
Chai-1 predicts the structures of biomolecular complexes containing proteins, nucleic acids and small molecules.
Conceptual summary of the documented data flow; optional inputs and configured downstream stages must be reported for a reproducible evaluation.
Multimodal biomolecular structure predictor
FASTA sequences, ligand SMILES and optional alignments, templates, contacts or covalent-bond restraints.
Sampled complex structures; the default command produces five predictions.
Official project documentation and implementation: https://github.com/chaidiscovery/chai-lab
limited source coverage · Automated source review, 2026-09-16. All specifications and missing details
5 evaluations · 5 metric rows. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: Chai-1 (MSA) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 59% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · source checkedMethods, coverage and sourceChai-1 (MSA) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 5 from left (Chai-1 (MSA)), exact printed bar label |
| Configuration: Chai-1 (single sequence) | Protocol: ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 51% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · source checkedMethods, coverage and sourceRuns N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), single-sequence block, bar 1 from left (Chai-1 (single sequence)), exact printed bar label |
| Configuration: Chai-1 | Task: Lipid–protein binding pose Dataset: LiPP lipid–protein complexes | 60.7 Success rate, ligand all-atom RMSD <2 Å % · unknown Uncertainty: 95% CI 55.2–66.0 Coverage: Not reported scored / Not reported eligible | Independent external evaluation · source checkedMethods, coverage and sourceChai-1: Lipid–protein binding pose Top-scoring pose; all-atom lipid RMSD below 2 Å. Aggregation: Not reported The 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 |
| Configuration: Chai-1 | Task: Antibody–antigen interaction prediction using folded complexes Dataset: Antibody–antigen GEP test set | 0.86 AUC-ROC unitless · unknown Uncertainty: ± 0.07 Coverage: Not reported scored / Not reported eligible | Independent external evaluation · source checkedMethods, coverage and sourceChai-1: Antibody–antigen interaction prediction using folded complexes Interaction classifier evaluated using Chai-1-folded input complexes; this is pipeline AUC, not DockQ. Aggregation: Not reported Enhancing antibody-antigen interaction prediction with atomic flexibility · Table 5, Folded row, Chai-1 (no MSA) column |
| Configuration: Chai-1 | Task: Antibody loop structure prediction Dataset: ImmuneBuilder antibody test set | 2.65 Mean CDR H3 RMSD Å · unknown Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · source checkedMethods, coverage and sourceChai-1: Antibody loop structure prediction Backbone RMSD after framework alignment; one seed and one diffusion trajectory. Aggregation: Not reported Conformation-aware structure prediction of antigen-recognizing immune proteins · Table 1, Antibodies / Chai-1 row, CDR H3 column |
Source checking is not independent reproduction. Release 2026-09-23-2b89723c6dd9.
Chai-1 predicts the structures of biomolecular complexes containing proteins, nucleic acids and small molecules. An AlphaFold3-like structure architecture dominated by pair-biased self-attention, with additional protein-language-model embeddings and optional inter-chain constraint features. The documented inputs are FASTA sequences, ligand SMILES and optional alignments, templates, contacts or covalent-bond restraints. The output consists of sampled complex structures; the default command produces five predictions.
Chai-1; README installation example pins chai_lab 0.6.1. The applicable input limits require configuration-specific checking.
Inspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied.
Stable record: catalog-model-chai-1Explanatory 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 | Multimodal biomolecular structure predictorSources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Architecture | An AlphaFold3-like structure architecture dominated by pair-biased self-attention, with additional protein-language-model embeddings and optional inter-chain constraint features.Sources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Inputs | FASTA sequences, ligand SMILES and optional alignments, templates, contacts or covalent-bond restraints.Sources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Outputs | Sampled complex structures; the default command produces five predictions.Sources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Parameters | The September 2024 report specifies a 3B protein-language-model component but does not state a complete predictor total in the reviewed architecture sections. · Not reported in inspected sourcesSources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Known versions | Chai-1; README installation example pins chai_lab 0.6.1.Sources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Training data | PDB structures and AlphaFoldDB distillation, with optional MSAs/templates. The technical report describes no other AlphaFold3 distillation datasets; server MSA search differs from the paper evaluation pipeline.Sources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Training cutoff | PDB structure and PDB70-template release cutoff: 2021-01-12, according to the September 2024 technical report.Sources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Context limits | The reviewed report and inference README do not specify one validated maximum for all protein, nucleic-acid and ligand inputs; resource requirements and molecular composition remain relevant. · Not reported in inspected sourcesSources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Weights licence | Apache-2.0; README Licence explicitly covers code and weights.Sources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Access | Official project documentation and implementation: https://github.com/chaidiscovery/chai-labSources (2)chaidiscovery/chai-lab: README.md; chai1-web: Browser-extracted primary-paper passages · Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence |
| Code licence | Apache-2.0Sourceschaidiscovery/chai-lab: LICENSE · LICENSE: licence text |
Source checking verifies the cited claim or transcription. It does not establish independent reproduction.
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.
39 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Diagram caption Conceptual summary of the documented data flow; optional inputs and configured downstream stages must be reported for a reproducible evaluation. Individual claims | chaidiscovery/chai-lab: README.md Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
| Diagram caption Conceptual summary of the documented data flow; optional inputs and configured downstream stages must be reported for a reproducible evaluation. Individual claims | chai1-web: Browser-extracted primary-paper passages Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: Technical report v1, 9 September 2024; browser-extracted passages pp.1–2,7–10 | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of browser-extracted text artifact, not original PDF bytes; direct HTTP download returned403. Format: browser_extracted_text |
Diagram steps
| chaidiscovery/chai-lab: README.md Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
Diagram steps
| chai1-web: Browser-extracted primary-paper passages Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: Technical report v1, 9 September 2024; browser-extracted passages pp.1–2,7–10 | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of browser-extracted text artifact, not original PDF bytes; direct HTTP download returned403. Format: browser_extracted_text |
| Diagram title Chai-1 workflow Individual claims | chaidiscovery/chai-lab: README.md Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
| Diagram title Chai-1 workflow Individual claims | chai1-web: Browser-extracted primary-paper passages Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: Technical report v1, 9 September 2024; browser-extracted passages pp.1–2,7–10 | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of browser-extracted text artifact, not original PDF bytes; direct HTTP download returned403. Format: browser_extracted_text |
| Model type Multimodal biomolecular structure predictor Individual claims | chaidiscovery/chai-lab: README.md Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
| Model type Multimodal biomolecular structure predictor Individual claims | chai1-web: Browser-extracted primary-paper passages Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: Technical report v1, 9 September 2024; browser-extracted passages pp.1–2,7–10 | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of browser-extracted text artifact, not original PDF bytes; direct HTTP download returned403. Format: browser_extracted_text |
| Architecture An AlphaFold3-like structure architecture dominated by pair-biased self-attention, with additional protein-language-model embeddings and optional inter-chain constraint features. Individual claims | chaidiscovery/chai-lab: README.md Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: 66c38d1fe5c6756a89ff8596b1dea87d305ec06f | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
| Architecture An AlphaFold3-like structure architecture dominated by pair-biased self-attention, with additional protein-language-model embeddings and optional inter-chain constraint features. Individual claims | chai1-web: Browser-extracted primary-paper passages Chai-1 Technical Report v1 (9 September 2024), Sections 2.1, 2.7–2.8 and 4.1–4.3; current repository README Licence Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: Technical report v1, 9 September 2024; browser-extracted passages pp.1–2,7–10 | source checked automated source review · 2026-09-16 Audit detailsInspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of browser-extracted text artifact, not original PDF bytes; direct HTTP download returned403. Format: browser_extracted_text |
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Release 2026-09-23-2b89723c6dd9 · Record review: discovered
Stable ID: catalog-model-chai-1