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---
title: BioGraph AI - Deep Graph Neural Networks for Molecular Discovery
emoji: 🧬
colorFrom: yellow
colorTo: indigo
sdk: docker
app_port: 8000
pinned: false
license: mit
---
# BioGraph AI: Deep Graph Neural Networks for Molecular Discovery

[![GitHub](https://img.shields.io/badge/GitHub-BioGraph--AI-10b981?logo=github)](https://github.com/VSRAJHAVEL/BioGraph-AI)
[![Model Hub](https://img.shields.io/badge/%F0%9F%A4%97%20Model%20Hub-Pretrained%20Weights-orange?logo=huggingface)](https://huggingface.co/VSRAJHAVEL/BioGraph-AI-Models)
[![License: MIT](https://img.shields.io/badge/License-MIT-blue.svg)](LICENSE)

An enterprise-grade, CPU-optimized Computer-Aided Drug Discovery (CADD) studio providing real-time in silico ADMET profiling, 3D WebGL stereochemical conformations, and consensus Graph Neural Network inference (MPNN, GIN, GAT, GCN) across ESOL, BBBP, and Tox21 benchmarks.

> **Handcrafted by [RAJHAVEL V S](https://vsrajhavel.github.io)**  
> **Portfolio:** [vsrajhavel.github.io](https://vsrajhavel.github.io) | **LinkedIn:** [in/rajhavelvs](https://in.linkedin.com/in/rajhavelvs) | **GitHub:** [@VSRAJHAVEL](https://github.com/VSRAJHAVEL)

	---
	title: BioGraph AI - Deep Graph Neural Networks for Molecular Discovery
	emoji: 🧬
	colorFrom: yellow
	colorTo: indigo
	sdk: docker
	app_port: 8000
	pinned: false
	license: mit
	---

	# BioGraph AI: Deep Graph Neural Networks for Molecular Discovery

	[![GitHub](https://img.shields.io/badge/GitHub-BioGraph--AI-10b981?logo=github)](https://github.com/VSRAJHAVEL/BioGraph-AI)
	[![Model Hub](https://img.shields.io/badge/%F0%9F%A4%97%20Model%20Hub-Pretrained%20Weights-orange?logo=huggingface)](https://huggingface.co/VSRAJHAVEL/BioGraph-AI-Models)
	[![License: MIT](https://img.shields.io/badge/License-MIT-blue.svg)](LICENSE)

	An enterprise-grade, CPU-optimized Computer-Aided Drug Discovery (CADD) studio providing real-time in silico ADMET profiling, 3D WebGL stereochemical conformations, and consensus Graph Neural Network inference (MPNN, GIN, GAT, GCN) across ESOL, BBBP, and Tox21 benchmarks.

	> Handcrafted by [RAJHAVEL V S](https://vsrajhavel.github.io)
	> Portfolio: [vsrajhavel.github.io](https://vsrajhavel.github.io) \| LinkedIn: [in/rajhavelvs](https://in.linkedin.com/in/rajhavelvs) \| GitHub: [@VSRAJHAVEL](https://github.com/VSRAJHAVEL)