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  1. QM9_tddft/processed/00002.pt +3 -0
  2. QM9_tddft/processed/00007.pt +3 -0
  3. QM9_tddft/processed/00009.pt +3 -0
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  20. QM9_tddft/processed/00080.pt +3 -0
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  27. QM9_tddft/processed/00108.pt +3 -0
  28. QM9_tddft/processed/00110.pt +3 -0
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  33. QM9_tddft/processed/00136.pt +3 -0
  34. QM9_tddft/processed/00140.pt +3 -0
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  36. QM9_tddft/processed/00146.pt +3 -0
  37. QM9_tddft/processed/00147.pt +3 -0
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