MS2GCAN

A Python-based project for MS2GCAN.

📌 Overview

MS2GCAN is a Python project repository.
This README provides a clean starting point for project introduction, setup, usage, and development notes.

✨ Features

• Python implementation
• Modular project structure (recommended)
• Easy local development and extension

🧱 Project Structure

MS2GCAN/
├─ README.md
├─ requirements.txt        # Python dependencies (if available)
├─ src/                    # Main source code (recommended)
├─ configs/                # Configuration files (recommended)
├─ scripts/                # Utility/training/evaluation scripts (recommended)
├─ tests/                  # Unit/integration tests (recommended)
└─ data/                   # Dataset or sample data (optional, usually ignored in git)

If your actual structure differs, you can update this section accordingly.

🚀 Getting Started

1) Clone the repository

git clone https://github.com/fwx0314/MS2GCAN.git
cd MS2GCAN

2) Create and activate a virtual environment (recommended)

python -m venv .venv
# Linux / macOS
source .venv/bin/activate
# Windows (PowerShell)
.venv\Scripts\Activate.ps1

3) Install dependencies

If requirements.txt exists:

pip install -r requirements.txt

Or install the basic toolchain first:

pip install -U pip setuptools wheel

🧪 Usage

Replace commands below with your real entrypoints.

Example:

python -m src.main

Or:

python scripts/train.py
python scripts/eval.py

⚙️ Configuration

• Put configuration files under configs/
• Recommended formats: yaml, json, or toml
• Keep sensitive values in environment variables (.env, CI secrets), not in repository

✅ Development

Code style

Recommended tools:

pip install black isort flake8
black .
isort .
flake8 .

Testing

pip install pytest
pytest -q

📊 Reproducibility (recommended)

To improve experiment reproducibility, consider documenting:

• Python version
• Key dependency versions
• Random seed settings
• Hardware environment (CPU/GPU, CUDA)

🤝 Contributing

Contributions are welcome.

1. Fork this repository
2. Create a feature branch (feat/xxx)
3. Commit changes with clear messages
4. Open a Pull Request

📄 License

Please add a LICENSE file and update this section accordingly (e.g., MIT, Apache-2.0).

👤 Author

• GitHub: @fwx0314