mtenn.strategy.Strategy

class mtenn.strategy.Strategy(*args, **kwargs)

Bases: Module, ABC

Abstract base class for the Strategy block. Any subclass needs to implement the forward method in order to be used.

Methods

forward(comp, *parts)

For any strategy class, this function should take a complex representation and (optionally) any number of "part" representations, and return a single \(\mathrm{\Delta G}\) prediction.

abstract forward(comp, *parts)

For any strategy class, this function should take a complex representation and (optionally) any number of “part” representations, and return a single \(\mathrm{\Delta G}\) prediction.