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A Drug Metabolite & Toxicity Property Predictor Based on Graph Neural Network

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Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
.idea		.idea
fig		fig
model		model
README.md		README.md
UI.py		UI.py
predict.py		predict.py

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MTPredictor

A Drug Metabolite & Toxicity Property Predictor Based on Graph Neural Network

Requirement

torch
dgl
dgllife
rdkit
tkinter
easygui

How to Use

python UI.py

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A Drug Metabolite & Toxicity Property Predictor Based on Graph Neural Network

toxicity metabolites graph-neural-network admet graph-attention-network

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Python 100.0%