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API Reference
Predictions

Adme

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

Start an ADME prediction
predictions.adme.start(AdmeStartParams**kwargs) -> AdmeStartResponse
POST/compute/v1/predictions/adme
List ADME predictions
predictions.adme.list(AdmeListParams**kwargs) -> SyncCursorPage[AdmeListResponse]
GET/compute/v1/predictions/adme
Retrieve an ADME prediction
predictions.adme.retrieve(strid, AdmeRetrieveParams**kwargs) -> AdmeRetrieveResponse
GET/compute/v1/predictions/adme/{id}
Delete ADME prediction data
predictions.adme.delete_data(strid) -> AdmeDeleteDataResponse
POST/compute/v1/predictions/adme/{id}/delete-data
Estimate cost for an ADME prediction
predictions.adme.estimate_cost(AdmeEstimateCostParams**kwargs) -> AdmeEstimateCostResponse
POST/compute/v1/predictions/adme/estimate-cost
ModelsExpand Collapse
class AdmeStartResponse: …
id: str

Unique prediction identifier

completed_at: Optional[datetime]
formatdate-time
created_at: datetime
formatdate-time
data_deleted_at: Optional[datetime]

When the input/output data was deleted, or null if still available

formatdate-time
error: Optional[Error]

Error details when failed

code: str

Machine-readable error code

message: str

Human-readable error message

details: Optional[object]

Additional field-level error details keyed by input path, when available.

expires_at: Optional[datetime]

When this resource and its associated data will be permanently deleted. Null while still in progress.

formatdate-time
input: Optional[Input]

Prediction input (null if data deleted)

molecules: List[InputMolecule]

Molecules to score (1-128 per request). Results are returned in the same order as this list.

smiles: str

SMILES string of the molecule to predict ADME properties for.

minLength1
id: Optional[str]

Optional client-provided identifier. Returned as external_id in the matching output item.

minLength1
maxLength128
livemode: bool

Whether this resource was created with a live API key.

model: Literal["adme-v1"]

Model used for prediction

output: Optional[Output]

Prediction output when succeeded

molecules: List[OutputMolecule]

Per-molecule results in the same order as the request. Successful molecules carry an adme summary. Failed molecules carry status: "failed" and a non-null error.

One of the following:
class OutputMoleculeAdmeMoleculeSucceeded: …
id: str

Internally generated molecule identifier.

adme: OutputMoleculeAdmeMoleculeSucceededAdme

Tier 1 ADME summary values for this molecule.

lipophilicity: float

Lipophilicity score from the internal LogD prediction.

permeability: float

Permeability score for this molecule.

solubility: Literal["high-confidence", "medium-confidence", "high-risk"]

Solubility judgement for this molecule.

One of the following:
"high-confidence"
"medium-confidence"
"high-risk"
error: None
smiles: str

Echoed SMILES from the request.

status: Literal["succeeded"]
external_id: Optional[str]

Client-provided molecule identifier, if one was supplied.

class OutputMoleculeAdmeMoleculeFailed: …
id: str

Internally generated molecule identifier.

adme: None
error: OutputMoleculeAdmeMoleculeFailedError
code: str

Machine-readable error code

message: str

Human-readable error message

details: Optional[object]

Additional field-level error details keyed by input path, when available.

smiles: str

Echoed SMILES from the request.

status: Literal["failed"]
external_id: Optional[str]

Client-provided molecule identifier, if one was supplied.

started_at: Optional[datetime]
formatdate-time
status: Literal["pending", "running", "succeeded", "failed"]
One of the following:
"pending"
"running"
"succeeded"
"failed"
version: str

Model version used for prediction

workspace_id: str

Workspace ID

idempotency_key: Optional[str]

Client-provided idempotency key

class AdmeListResponse: …
id: str

Unique prediction identifier

completed_at: Optional[datetime]
formatdate-time
created_at: datetime
formatdate-time
data_deleted_at: Optional[datetime]

When the input/output data was deleted, or null if still available

formatdate-time
error: Optional[Error]

Error details when failed

code: str

Machine-readable error code

message: str

Human-readable error message

details: Optional[object]

Additional field-level error details keyed by input path, when available.

expires_at: Optional[datetime]

When this resource and its associated data will be permanently deleted. Null while still in progress.

formatdate-time
livemode: bool

Whether this resource was created with a live API key.

model: Literal["adme-v1"]

Model used for prediction

started_at: Optional[datetime]
formatdate-time
status: Literal["pending", "running", "succeeded", "failed"]
One of the following:
"pending"
"running"
"succeeded"
"failed"
version: str

Model version used for prediction

workspace_id: str

Workspace ID

idempotency_key: Optional[str]

Client-provided idempotency key

class AdmeRetrieveResponse: …
id: str

Unique prediction identifier

completed_at: Optional[datetime]
formatdate-time
created_at: datetime
formatdate-time
data_deleted_at: Optional[datetime]

When the input/output data was deleted, or null if still available

formatdate-time
error: Optional[Error]

Error details when failed

code: str

Machine-readable error code

message: str

Human-readable error message

details: Optional[object]

Additional field-level error details keyed by input path, when available.

expires_at: Optional[datetime]

When this resource and its associated data will be permanently deleted. Null while still in progress.

formatdate-time
input: Optional[Input]

Prediction input (null if data deleted)

molecules: List[InputMolecule]

Molecules to score (1-128 per request). Results are returned in the same order as this list.

smiles: str

SMILES string of the molecule to predict ADME properties for.

minLength1
id: Optional[str]

Optional client-provided identifier. Returned as external_id in the matching output item.

minLength1
maxLength128
livemode: bool

Whether this resource was created with a live API key.

model: Literal["adme-v1"]

Model used for prediction

output: Optional[Output]

Prediction output when succeeded

molecules: List[OutputMolecule]

Per-molecule results in the same order as the request. Successful molecules carry an adme summary. Failed molecules carry status: "failed" and a non-null error.

One of the following:
class OutputMoleculeAdmeMoleculeSucceeded: …
id: str

Internally generated molecule identifier.

adme: OutputMoleculeAdmeMoleculeSucceededAdme

Tier 1 ADME summary values for this molecule.

lipophilicity: float

Lipophilicity score from the internal LogD prediction.

permeability: float

Permeability score for this molecule.

solubility: Literal["high-confidence", "medium-confidence", "high-risk"]

Solubility judgement for this molecule.

One of the following:
"high-confidence"
"medium-confidence"
"high-risk"
error: None
smiles: str

Echoed SMILES from the request.

status: Literal["succeeded"]
external_id: Optional[str]

Client-provided molecule identifier, if one was supplied.

class OutputMoleculeAdmeMoleculeFailed: …
id: str

Internally generated molecule identifier.

adme: None
error: OutputMoleculeAdmeMoleculeFailedError
code: str

Machine-readable error code

message: str

Human-readable error message

details: Optional[object]

Additional field-level error details keyed by input path, when available.

smiles: str

Echoed SMILES from the request.

status: Literal["failed"]
external_id: Optional[str]

Client-provided molecule identifier, if one was supplied.

started_at: Optional[datetime]
formatdate-time
status: Literal["pending", "running", "succeeded", "failed"]
One of the following:
"pending"
"running"
"succeeded"
"failed"
version: str

Model version used for prediction

workspace_id: str

Workspace ID

idempotency_key: Optional[str]

Client-provided idempotency key

class AdmeDeleteDataResponse: …
id: str

ID of the resource whose data was deleted

data_deleted: Literal[true]
data_deleted_at: datetime

When the data was deleted

formatdate-time
class AdmeEstimateCostResponse: …

Estimate response with monetary values encoded as decimal strings to preserve precision.

breakdown: Breakdown

Cost breakdown for the billed application.

application: Literal["structure_and_binding", "small_molecule_design", "small_molecule_library_screen", 4 more]
One of the following:
"structure_and_binding"
"small_molecule_design"
"small_molecule_library_screen"
"protein_design"
"protein_redesign"
"protein_library_screen"
"adme"
cost_per_unit_usd: str

Estimated cost per displayed unit as a decimal string, rounded up to 4 decimal places. This may include token-size multipliers or generation overhead; estimated_cost_usd is the authoritative total.

num_units: int

Number of billable units in the estimate. The unit depends on the endpoint: samples for structure-and-binding, molecules for ADME, and requested proteins or molecules for design/screen endpoints.

disclaimer: str
estimated_cost_usd: str

Estimated total cost as a decimal string

Run
client.predictions.adme.run(*, input: adme_start_params.Input, model: Literal['adme-v1'], root_dir: str | PathLike[str], name: str | None, workspace_id: str | Omit, quiet: bool, poll_interval_seconds: float) -> Path
FunctionSDK workflow