mtenn.readout

Implementations for the Readout block in a Model or GroupedModel.

This class is intended to contain only simple arithmetic, converting a model-predicted \(\mathrm{\Delta G}\) value (in implicit kT units) into some readout value that can be experimentally measured, eg \(\mathrm{pIC_{50}}\).

Classes

PIC50Readout

Readout implementation to convert \(\Delta \mathrm{G}\) values to \(\mathrm{pIC_{50}}\) values.

PKiReadout

Readout implementation to convert \(\Delta \mathrm{G}\) values to \(\mathrm{pK_i}\) values.

Readout

Abstract base class for the Readout block.