/tools/PDGrapher

PDGrapher

mims-harvard/PDGrapher

110 stars28 forksJupyter NotebookWebsiteAdded February 4, 2026
summary

PDGrapher is a tool for combinatorial prediction of therapeutic perturbations using causally-inspired neural networks. It leverages chemical datasets to train models that can predict the effects of drug combinations, contributing to the field of drug discovery.

description

Combinatorial prediction of therapeutic perturbations using causally-inspired neural networks

topics

causal-inferencedrug-discoverygeometric-deep-learninggraph-neural-networksperturbationstherapeutics

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