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gat-aug-chebi25-3star_v248 – AI Model by chebai | AlphaNeural AI
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A Graph Attention Network trained on the
ChEBI25-3STAR dataset
with the
ChEB-AI Graph library
(v1.1.0).
This repository includes the PyTorch lightning checkpoint for the model as well as the configuration files and library version used for training.
For details about the architecture, see
Khedekar, Aditya Ganesh: "Integrating Chemical Knowledge into Graph Neural Networks." (Master's Thesis, Otto-von-Guericke University Magdeburg, 2026).
