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Added symmetry.pkl and ccd.rdb writing to the training data prep pipeline#614

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chmnk wants to merge 6 commits intojwohlwend:mainfrom
chmnk:ccd-rdb-fix
Open

Added symmetry.pkl and ccd.rdb writing to the training data prep pipeline#614
chmnk wants to merge 6 commits intojwohlwend:mainfrom
chmnk:ccd-rdb-fix

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@chmnk chmnk commented Nov 11, 2025

Fixes #613

  1. Slightly updated compute_symmetries so that it returns the content of symmetry.pkl
  2. Added an option --with_symmetries to write the symmetry.pkl
  3. Added a script ccd_to_redis.py to save symmetry.pkl as .rdb
  4. Modified training.md accordingly

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Missing symmetry writing and ccd.rdb in the training dataset prep

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