Model

class Model[source]

Bases: torchdrug.patch.PatchedModule, abc.ABC

The base class for ChemicalX models.

Methods Summary

unpack(batch)

Unpack a batch into a tuple of the features needed for forward.

Methods Documentation

abstract unpack(batch)[source]

Unpack a batch into a tuple of the features needed for forward.

Parameters

batch (DrugPairBatch) – A batch object

Returns

A tuple that will be used as the positional arguments in this model’s forward() method.