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
client.Predictions.StructureAndBinding.Start(ctx, body) (*PredictionStructureAndBindingStartResponse, error)
POST/compute/v1/predictions/structure-and-binding
List structure and binding predictions
client.Predictions.StructureAndBinding.List(ctx, query) (*CursorPage[PredictionStructureAndBindingListResponse], error)
GET/compute/v1/predictions/structure-and-binding
Retrieve a structure and binding prediction
client.Predictions.StructureAndBinding.Get(ctx, id, query) (*PredictionStructureAndBindingGetResponse, error)
GET/compute/v1/predictions/structure-and-binding/{id}
Delete prediction data
client.Predictions.StructureAndBinding.DeleteData(ctx, id) (*PredictionStructureAndBindingDeleteDataResponse, error)
POST/compute/v1/predictions/structure-and-binding/{id}/delete-data
Estimate cost for a structure and binding prediction
client.Predictions.StructureAndBinding.EstimateCost(ctx, body) (*PredictionStructureAndBindingEstimateCostResponse, error)
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
client.Predictions.Adme.Start(ctx, body) (*PredictionAdmeStartResponse, error)
POST/compute/v1/predictions/adme
List ADME predictions
client.Predictions.Adme.List(ctx, query) (*CursorPage[PredictionAdmeListResponse], error)
GET/compute/v1/predictions/adme
Retrieve an ADME prediction
client.Predictions.Adme.Get(ctx, id, query) (*PredictionAdmeGetResponse, error)
GET/compute/v1/predictions/adme/{id}
Delete ADME prediction data
client.Predictions.Adme.DeleteData(ctx, id) (*PredictionAdmeDeleteDataResponse, error)
POST/compute/v1/predictions/adme/{id}/delete-data
Estimate cost for an ADME prediction
client.Predictions.Adme.EstimateCost(ctx, body) (*PredictionAdmeEstimateCostResponse, error)
POST/compute/v1/predictions/adme/estimate-cost