Missing dependency and environment setup instructions

[ironman1947]

Hello maintainers,

While reviewing the repository, I noticed that the project currently does not include explicit instructions for setting up the Python environment.

Problem

There is no dependency specification file such as requirements.txt or environment.yml, and no documented setup steps in the README.

Why this matters

Clear environment setup documentation helps new contributors and researchers run the codebase consistently and reproduce results without environment-related issues.

Suggested improvement

• Provide a dependency file (requirements.txt or environment.yml) with required packages
• Add a brief Environment Setup section to the README describing installation steps

[ssrijandev]

Hello @maintainers,
I would like to work on this! I noticed that the repository currently lacks a dependency specification and setup instructions, which can make it difficult for new contributors to get the notebooks running.
I have prepared a PR that includes:
A comprehensive requirements.txt file (generated via pip-compile for Python 3.10).
Key dependencies including torch, torch-geometric, matplotlib, and scikit-learn.
An updated README.md with a new Environment Setup section to guide users through the installation process.
I'll be submitting the Pull Request shortly. Please let me know if you have specific preferences for environment management.