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🧬 Smart Protein Binding and Molecular Screening System

This project is an AI-driven web application designed to enhance early-stage drug discovery by enabling intelligent protein-ligand interaction prediction, molecular visualization, and collaborative research. It streamlines key discovery tasks such as molecular structure generation, 3D modeling, compound search, and team collaboration — all within a unified, intuitive interface.

🚀 Features

  • 🔬 3D Molecular Visualization using WebGL-based libraries
  • 🧪 Molecule Generator using SMILES notation
  • 📊 AI-Powered Molecular Screening via integrated models such as NVIDIA Molmin
  • 💬 Real-Time Group Messaging & Collaboration
  • 🌐 Compound Search and Interactive Dashboards
  • 🌙 Light/Dark Mode Support for Accessibility
  • 🔐 Secure User Authentication and Group Management

🛠️ Tech Stack

  • Frontend: Next.js (React), Tailwind CSS
  • Backend: Node.js, Express (via API routes in Next.js)
  • Database: MongoDB (via Mongoose)
  • AI Models: RDKit, React Apex chart integrations
  • Authentication: NextAuth.js or custom JWT (based on your implementation)
  • Cloud: MongoDB Atlas, Vercel or Render for deployment

📦 Installation

# Clone the repository
git clone https://github.com/devcavin/protein-binding.git
cd protein-binding

# Install dependencies
npm/yarn/pnpm install

# Run the development server
npm/yarn/pnpm run dev