📦 TODOs for release v4.0.0

[ale94mleon]

This issue tracks the main tasks planned for the v4.0.0 release of moldrug.

🚀 Features

• Implement distributed parallelization

🧹 Refactoring

• Split the utils module into:
  • opt – for optimization-related helpers
  • utils – general-purpose tools
• Improve CLI

📘 Documentation & Tutorials

• Improve tutorials with real-case scenarios:
  • Example: realistic drug design pipeline
  • Example: batch screening with parallelization
• Add documentation on parallelization levels:
  • Thread-based parallelism
  • Process-based parallelism
  • Distributed parallelism

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Milestone: v4.0.0