MatchMaker

class MatchMaker(*, context_channels, drug_channels, input_hidden_channels=32, middle_hidden_channels=32, final_hidden_channels=32, out_channels=1, dropout_rate=0.5)[source]

Bases: chemicalx.models.base.Model

An implementation of the MatchMaker model from [kuru2021].

See also

This model was suggested in https://github.com/AstraZeneca/chemicalx/issues/23

kuru2021

Kuru, H. I., et al. (2021). MatchMaker: A Deep Learning Framework for Drug Synergy Prediction. IEEE/ACM Transactions on Computational Biology and Bioinformatics, 1–1.

Methods Summary

forward(context_features, …)

Run a forward pass of the MatchMaker model.

unpack(batch)

Return the context features, left drug features, and right drug features.

Methods Documentation

forward(context_features, drug_features_left, drug_features_right)[source]

Run a forward pass of the MatchMaker model.

Parameters
  • context_features (FloatTensor) – A matrix of biological context features.

  • drug_features_left (FloatTensor) – A matrix of head drug features.

  • drug_features_right (FloatTensor) – A matrix of tail drug features.

Return type

FloatTensor

Returns

A column vector of predicted synergy scores.

unpack(batch)[source]

Return the context features, left drug features, and right drug features.