peppr.DockQScore

class peppr.DockQScore(include_pli: bool = True)

Compute the DockQ score for the given complex as defined in [1].

Parameters:

include_plibool, optional

If set to False, small molecules are excluded from the calculation.

References

[1]

https://doi.org/10.1093/bioinformatics/btae586

__init__(include_pli: bool = True) → None

Methods

__init__([include_pli])
evaluate(reference, pose)	Apply this metric on the given predicted pose with respect to the given reference.
smaller_is_better()	Whether as smaller value of this metric is considered a better prediction.

Attributes

name
thresholds