qsospec.UncertaintyConfig

class qsospec.UncertaintyConfig(covariance=True, monte_carlo_trials=0, random_seed=12345, refit_host_in_mc=True)

Bases: object

Statistical uncertainty settings for the global workflow.

Parameters:

• covariance (bool)

• monte_carlo_trials (int)

• random_seed (int | None)

• refit_host_in_mc (bool)

__init__(covariance=True, monte_carlo_trials=0, random_seed=12345, refit_host_in_mc=True)

Parameters:

• covariance (bool)

• monte_carlo_trials (int)

• random_seed (int | None)

• refit_host_in_mc (bool)

Return type:

None

Methods

__init__([covariance, monte_carlo_trials, ...])

Attributes

covariance
monte_carlo_trials
random_seed
refit_host_in_mc

covariance: bool = True

monte_carlo_trials: int = 0

random_seed: int | None = 12345

refit_host_in_mc: bool = True