MLEEstimatorResult

class cinnabar.estimators.MLEEstimatorResult(covariance_matrix: ndarray, ligand_order: list)

Results data produced by MLEEstimator.

Variables:

• covariance_matrix (np.ndarray, shape (N, N)) – Full MLE covariance matrix. Entry [i, j] is the covariance between the free energy estimates of ligands i and j.

• ligand_order (list) – Ordered list of ligand labels whose index maps to rows/columns of covariance_matrix

Attributes

covariance_matrix
ligand_order