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.
- 🔬 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
- 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
# 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