Model type
Biomolecular structure and affinity predictor
Boltz predicts biomolecular complex structures; Boltz-2 also predicts binding affinity.
Conceptual summary of the documented data flow; optional inputs and configured downstream stages must be reported for a reproducible evaluation.
Biomolecular structure and affinity predictor
Protein, nucleic-acid and ligand specifications in prediction input files.
Predicted complex structures and, for supported Boltz-2 inputs, binding-affinity predictions.
Official project documentation and implementation: https://github.com/jwohlwend/boltz
limited source coverage · Automated source review, 2026-09-23. All specifications and missing details
1 evaluation · 1 result. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: Boltz-2 | Task: Ligand potency prediction using generated poses Dataset: SARS-CoV-2 Mpro ligands | 0.8 Pearson R unitless · unknown Uncertainty: ± 0.027 Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceBoltz-2: Ligand potency prediction using generated poses Potency prediction using Boltz-2 ligand-pose generation protocol; see paper scoring pipeline. Aggregation: Not reported A Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, Boltz-2 row, Pearson’s R column |
Source checking is not independent reproduction. Release 2026-09-29-06401fd5b220.
Related profile: Boltz. This page retains the exact record and its evaluation context.
Boltz-2 first encodes the molecular inputs, alignments and optional templates into token and pair features. A Pairformer trunk updates those features and conditions atom-coordinate diffusion to generate a complex. Separate confidence and affinity modules assess the prediction; affinity classification and regression outputs answer different questions.
Boltz-1 and Boltz-2 are distinct released generations; the catalogue does not select an evaluated checkpoint. The Boltz-2 report describes training crops up to 768 tokens. This is a training-crop size rather than a universal inference maximum; affinity additionally uses a pocket crop.
Follow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is implied.
Stable record: catalog-model-boltz-2Explanatory profile: limited source coverage · Automated source review, 2026-09-23. 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 and affinity predictorSources (6)jwohlwend/boltz: README.md; jwohlwend/boltz: docs/prediction.md; jwohlwend/boltz: docs/training.md; jwohlwend/boltz: src/boltz/model/models/boltz2.py; jwohlwend/boltz: scripts/train/configs/full.yaml; boltz2: Journal full-text XML · src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations |
| Architecture | Molecular input embeddings, MSA and optional template modules build single-token and pair representations. Pairformer blocks refine these features; atom-coordinate diffusion generates structures, with separate confidence and binding-affinity modules.Sources (6)jwohlwend/boltz: README.md; jwohlwend/boltz: docs/prediction.md; jwohlwend/boltz: docs/training.md; jwohlwend/boltz: src/boltz/model/models/boltz2.py; jwohlwend/boltz: scripts/train/configs/full.yaml; boltz2: Journal full-text XML · src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations |
| Inputs | Protein, nucleic-acid and ligand specifications in prediction input files.Sources (6)jwohlwend/boltz: README.md; jwohlwend/boltz: docs/prediction.md; jwohlwend/boltz: docs/training.md; jwohlwend/boltz: src/boltz/model/models/boltz2.py; jwohlwend/boltz: scripts/train/configs/full.yaml; boltz2: Journal full-text XML · src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations |
| Outputs | Predicted complex structures and, for supported Boltz-2 inputs, binding-affinity predictions.Sources (6)jwohlwend/boltz: README.md; jwohlwend/boltz: docs/prediction.md; jwohlwend/boltz: docs/training.md; jwohlwend/boltz: src/boltz/model/models/boltz2.py; jwohlwend/boltz: scripts/train/configs/full.yaml; boltz2: Journal full-text XML · src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations |
| Parameters | A complete parameter count tied to the released structure, confidence and affinity checkpoints is not stated in the inspected report or model constructor. These components must be identified before comparing parameter totals. No total was inferred from file size or architecture names. · Not reported in inspected sourcesSources (2)Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction; jwohlwend/boltz: src/boltz/model/models/boltz2.py · XML sectionsS5-S12 Architecture and Training; src/boltz/model/models/boltz2.py Boltz2.__init__ component construction. |
| Known versions | Boltz-1 and Boltz-2 are separate model generations. In the Boltz-2 report, Boltz-2x means Boltz-2 with physicality steering potentials enabled; it is an inference condition, not evidence of a separately trained checkpoint.Sources (2)Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction; jwohlwend/boltz: README.md · README Introduction; XML sectionS15 paragraphP32 (Boltz-2x definition and Boltz-1 comparison). |
| Training data | Boltz-2 structure training uses experimental PDB structures released before 2023-06-01, MISATO/ATLAS/mdCATH molecular-dynamics ensembles, AlphaFold2 monomer predictions and Boltz-1 predictions of several complex types. Affinity regression uses filtered PubChem, ChEMBL and BindingDB assays; binary supervision uses PubChem HTS, CeMM and MIDAS plus synthetic decoys.SourcesBoltz-2: Towards Accurate and Efficient Binding Affinity Prediction · XML sectionS3 paragraphsP14-P16 Structural Data; sectionS4 paragraphsP20-P21 Binding Affinity Data. |
| Training cutoff | 2023-06-01 applies to release dates of experimental PDB structures used by Boltz-2. The source does not give a common cutoff for molecular dynamics, distilled predictions and affinity databases; this date must not be assigned to Boltz-1 or to all Boltz-2 training evidence.SourcesBoltz-2: Towards Accurate and Efficient Binding Affinity Prediction · XML P14 experimental PDB cutoff; P16 distillation and P20-P21 affinity sources. |
| Context limits | Boltz-2 training crops extend to 768 molecular tokens. This is a training setting, not a universal inference limit. Affinity training also crops predicted binding pockets; permitted input size depends on the actual inference implementation and resources.SourcesBoltz-2: Towards Accurate and Efficient Binding Affinity Prediction · XML sectionS6 paragraphP23 Trunk optimization; sectionS12 paragraphP29 Affinity training. |
| Weights licence | The official README explicitly releases all code and weights under MIT for academic and commercial use. This establishes distribution terms, not the identity of a checkpoint used by an external paper.Sourcesjwohlwend/boltz: README.md · README.md Introduction line19. |
| Access | Official project documentation and implementation: https://github.com/jwohlwend/boltzSources (6)jwohlwend/boltz: README.md; jwohlwend/boltz: docs/prediction.md; jwohlwend/boltz: docs/training.md; jwohlwend/boltz: src/boltz/model/models/boltz2.py; jwohlwend/boltz: scripts/train/configs/full.yaml; boltz2: Journal full-text XML · src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations |
| Code licence | MIT for code at commit b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc.Sources (2)jwohlwend/boltz: LICENSE; jwohlwend/boltz: README.md · LICENSE MIT text; README.md Introduction line19. |
Source checking verifies the cited claim or transcription. It does not establish independent reproduction.
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89 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 | jwohlwend/boltz: docs/training.md src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is 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 | jwohlwend/boltz: docs/prediction.md src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is 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 | jwohlwend/boltz: src/boltz/model/models/boltz2.py src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is 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 | jwohlwend/boltz: scripts/train/configs/full.yaml src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is 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 | boltz2: Journal full-text XML src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: preprint; 1 | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is 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 | jwohlwend/boltz: README.md src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
Diagram steps
| jwohlwend/boltz: docs/training.md src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
Diagram steps
| jwohlwend/boltz: docs/prediction.md src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
Diagram steps
| jwohlwend/boltz: src/boltz/model/models/boltz2.py src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
Diagram steps
| jwohlwend/boltz: scripts/train/configs/full.yaml src/boltz/model/models/boltz2.py: Boltz2.__init__, forward, PairformerModule, AtomDiffusion and AffinityModule; docs/prediction.md: affinity outputs; Boltz-2 report Sections 2 Data, 3 Architecture, 4 Training and 6 Limitations Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: b1ebfc46ecf57f5414e0d1a6f9027bbb122c53bc | source checked automated source review · 2026-09-23 Audit detailsFollow-up review of Training data, Training cutoff, Context limits, Parameters, Code licence, Weights licence, Known versions. Source locations and before/after decisions are recorded in the 23 September profile-evidence audit. Other explanatory content retains its earlier source scope. No human scientific review or independent reproduction is implied. Field: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
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Release 2026-09-29-06401fd5b220 · Record review: discovered
Stable ID: catalog-model-boltz-2