Highlights

Automated GitHub CI Actions:
- Integrated Ruff Linter to identify potential low-risk errors and code defects.
- Configured Pytest to automatically run AMPL unit and integration tests with every commit or pull request to ensure code validation
- Automated the Docker build and push to DockerHub upon the publication of a release.

Enhancements:

Defined separate Dockerfiles for CPU and GPU configurations.
Introduced a Makefile to streamline the management of Docker builds, pulls, and Jupyter session execution.
Pip requirements:
- Introduced a new dev_requirements.txt for development and testing.
- Updated rdkit to version 2024.3.5, which resolves the PandasTools patching error in rdkit_easy and the descriptor calculation issue reported in rdkit/rdkit#7364.
- Use tensorflow-cpu in cpu_requirements.txt to install the appropriate platform package.
Ruff Linter findings:
- Updated and fixed code based on Ruff reports, addressing common issues such as:
  - F401 unused-import
  - F405 undefined-local-with-import-star-usage
  - F841 unused-variable
  - F601 multi-value-repeated-key-literal
  - E721 type-comparison
  - E402 module-import-not-at-top-of-file