LittleQili / Toy-GCN

A naive GCN-Based Model for drug molecular toxicity prediction.

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GCN-Based Model for Drug Molecular Toxicity Prediction

SJTU 2020 Fall CS410 course project 1

A GCN-based model, implemented for drug molecular toxicity prediction task(detail, kaggle).

This model is based on Thomas Kipf's work in pygcn repository. I made tricky modification of the basic GCN layer, and got 0.863 AUC score.

This project report is available here.

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A naive GCN-Based Model for drug molecular toxicity prediction.


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