BMAD-METHOD/.claude/rules/pytorch-scikit-learn-cursor.../chemistry-ml---reproducibil...

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---
description: Guidelines for ensuring reproducibility and proper version control in chemistry machine learning projects.
globs: .git/**/*
---
- Use version control (Git) for both code and datasets.
- Implement proper logging of experiments, including all hyperparameters and results.
- Use tools like MLflow or Weights & Biases for experiment tracking.
- Ensure reproducibility by setting random seeds and documenting the full experimental setup.