README.md

metadata

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

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
Portfolio: vsrajhavel.github.io | LinkedIn: in/rajhavelvs | GitHub: @VSRAJHAVEL