🧪 MediCare - A Collaborative Drug Discovery Platform :

♠️ Purpose:

Empowering researchers, educators, and contributors in the field of drug discovery through molecular visualization, real-time collaboration, and data-driven insights.

📖 Table of Contents:

1. 🔬 About MediCare
2. 🛠 Features
3. 📸 Screenshots
4. 🚀 Tech Stack
5. 📦 Installation
6. 🔧 Usage
7. 🤝 Contributing
8. 📜 License
9. 📬 Contact

🔬 About MediCare:

MediCare is an open-source platform designed to facilitate drug discovery and molecular research. It provides a Molecule Bank where researchers can visualize compounds using SMILE technology, a Records Section storing essential chemical data, and a real-time communication space for researchers to collaborate. Mainly for: ✅ Researchers in pharmaceuticals & drug discovery ✅ Educators teaching chemical sciences ✅ Contributors interested in computational chemistry ✅ Open-source enthusiasts in healthcare & chemistry

🛠 Features:

• 🧪 Molecule Bank – Visualize chemical compounds using SMILE technology.
• 📑 Comprehensive Compound Records – Access compound name, weight, structure, and chemical properties.
• 💬 Live Chat & Group Meetings – Collaborate with other researchers in real time.
• 🔍 Advanced Search – Find molecules by name, weight, or structure.
• 🔗 Open Contribution – Researchers can add, edit, and validate molecular data.

📸 Screenshots:

Dashboard:

🧪 Molecule Bank:

📑 Comprehensive Compound Records:

💬 Live Chat & Group Meetings:

🚀 Tech Stack:

📦 Installation:

Follow these steps to set up the project locally on your machine.

🔧 Prerequisites:

Make sure you have the following installed on your machine:

• Git
• Node.js
• npm (Node Package Manager)

⬇ Clone Repository:

git clone https://github.com/your-username/MediCare.git
cd MediCare

📌 Install Dependencies:

Install the project dependencies using npm:

npm install

Set Up Environment Variables

Create a new file named .env in the root of your project and add the following content:

NEXT_PUBLIC_NVIDIA_API_KEY=your-nvidia-api-key

ABLY_API_KEY='your-ably-api-key'

MONGODB_URL='your-mongodb-url'

NEXT_PUBLIC_API_BASE_URL= http://localhost:3000

RESEND_KEY= 'your-resend-api-key'

NEXT_NVIDIA_URL=your-nvidia-model-url

🚀 Start the Application:

npm run dev
Open [http://localhost:3000](http://localhost:3000) in your browser to view the project.

🔧 Usage:

1️⃣ Browse & Search for molecules using SMILE-based visualization. 2️⃣ Access Chemical Records – Get compound properties like weight, structure, and name. 3️⃣ Collaborate in Real-time – Join live chat rooms & meetings with other researchers. 4️⃣ Contribute New Compounds – Add and validate new molecular data.

🤝 Contributing:

🔬 Contributions are highly encouraged! If you're a researcher, educator, or developer, feel free to improve MediCare.

Fork the repository.
Create a new branch (git checkout -b feature-name).
Commit your changes (git commit -m "Added new feature").
Push to your branch (git push origin feature-name).
Open a Pull Request.

🛂 Contribution Guidelines:

📌Reporting Issues:

Search for existing issues: Before creating a new issue, search the issue tracker to see if the problem has already been reported. Provide clear and concise information: When creating a new issue, please include as much detail as possible, such as: Clear description of the problem Steps to reproduce the issue Expected behavior Actual behavior Screenshots or logs (if applicable) Use issue templates: If available, use the provided issue templates to structure your report.

📌Submitting Pull Requests:

Fork the repository: Create a fork of the project on your GitHub account. Create a new branch: Create a new branch based on the main branch or a feature branch. Make changes: Implement your changes and commit them with clear commit messages. Push changes to your fork: Push your changes to your forked repository. Open a Pull Request: Create a pull request from your branch to the main repository. Provide details: Clearly describe the changes you've made and the benefits they bring. Address code review feedback: Be open to feedback and make necessary changes.

📌Testing:

Write unit tests for any new features or bug fixes. Ensure existing tests pass after your changes.

📜 License:

MediCare is licensed under the MIT License – open for research and educational purposes.

🧬 Molecule Data Processing

This section covers the medicare data processing pipeline, including loading protein structure file (e.g., PDB format), performing molecular docking simulations, and visualizing the result.

📌 Molecule Structure Input

Users can upload PDB files for molecules structures, which will then be processed by NVIDIA NeMo's molecule-folding model.

##📌 Docking Simulation

Using molecular docking algorithms, the system predicts how small molecules (such as drug candidates) bind to molecules target.

🚀 Let's revolutionize drug discovery together! 🌍💊

📬 Contact:

🔗 GitHub: CodeWithRajDeep

🌐 Website: https://deepraj-portfolio-red.vercel.app