https://github.com/killercavin/protein-binding

A protein binding and molecular screening platform
https://github.com/killercavin/protein-binding

drug-discovery javascript molecular-modeling molecular-screening molecular-simulation moleculer nextjs protein-structure react smart-protein-binding typescript

Last synced: 10 months ago
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A protein binding and molecular screening platform

• Host: GitHub
• URL: https://github.com/killercavin/protein-binding
• Owner: Killercavin
• License: mit
• Created: 2025-02-16T16:10:46.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2025-05-19T18:20:11.000Z (about 1 year ago)
• Last Synced: 2025-06-08T02:57:28.477Z (12 months ago)
• Topics: drug-discovery, javascript, molecular-modeling, molecular-screening, molecular-simulation, moleculer, nextjs, protein-structure, react, smart-protein-binding, typescript
• Language: TypeScript
• Homepage:
• Size: 1.22 MB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# 🧬 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

```bash

# Clone the repository

git clone https://github.com/Killercavin/protein-binding.git

cd protein-binding

# Install dependencies

npm/yarn/pnpm install

# Run the development server

npm/yarn/pnpm run dev