/tools/ADMET-Prediction-System-Graph-Neural-Networks-with-RAG
ADMET-Prediction-System-Graph-Neural-Networks-with-RAG
pritampanda15/ADMET-Prediction-System-Graph-Neural-Networks-with-RAG
13 stars3 forksPythonAdded February 8, 2026
summary
The ADMET Prediction System utilizes deep learning to predict Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties from molecular structures. It employs Graph Neural Networks and provides mechanistic interpretations of the predictions, making it a valuable tool in preclinical drug development.
description
A deep learning system that predicts Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties from molecular structures. The system combines Graph Neural Networks with a RAG-based LLM explainer to provide both predictions and mechanistic interpretations.
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