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Predictions

Run prediction models on molecular inputs. Each application is available as its own endpoint with application-specific inputs and outputs.

PredictionsStructure And Binding

Predict 3D structure coordinates, per-residue confidence scores, and binding metrics for a molecular complex. Supports optional template-guided folding and per-protein MSA control.

Start a structure and binding prediction
$ boltz-api predictions:structure-and-binding start
POST/compute/v1/predictions/structure-and-binding
List structure and binding predictions
$ boltz-api predictions:structure-and-binding list
GET/compute/v1/predictions/structure-and-binding
Retrieve a structure and binding prediction
$ boltz-api predictions:structure-and-binding retrieve
GET/compute/v1/predictions/structure-and-binding/{id}
Delete prediction data
$ boltz-api predictions:structure-and-binding delete-data
POST/compute/v1/predictions/structure-and-binding/{id}/delete-data
Estimate cost for a structure and binding prediction
$ boltz-api predictions:structure-and-binding estimate-cost
POST/compute/v1/predictions/structure-and-binding/estimate-cost

PredictionsAdme

Predict Tier 1 ADME summary values for a batch of small molecules specified by SMILES.

Start an ADME prediction
$ boltz-api predictions:adme start
POST/compute/v1/predictions/adme
List ADME predictions
$ boltz-api predictions:adme list
GET/compute/v1/predictions/adme
Retrieve an ADME prediction
$ boltz-api predictions:adme retrieve
GET/compute/v1/predictions/adme/{id}
Delete ADME prediction data
$ boltz-api predictions:adme delete-data
POST/compute/v1/predictions/adme/{id}/delete-data
Estimate cost for an ADME prediction
$ boltz-api predictions:adme estimate-cost
POST/compute/v1/predictions/adme/estimate-cost
Run
boltz-api predictions:structure-and-binding run [options]
FunctionCLI workflow
Run
boltz-api predictions:adme run [options]
FunctionCLI workflow