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unit conversion is broken #130

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M-R-Schaefer opened this issue May 23, 2023 · 1 comment
Closed

unit conversion is broken #130

M-R-Schaefer opened this issue May 23, 2023 · 1 comment
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@M-R-Schaefer
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the unit conversion should take place before the dataset stats are computed.
@M-R-Schaefer M-R-Schaefer added the bug Something isn't working label May 23, 2023
@Tetracarbonylnickel
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The units are converted bevor the dataset stats are computed. But instead of the inputs and labels calculated in the create_dict_dataset() function the atoms_list of the raw data is used.

@Tetracarbonylnickel Tetracarbonylnickel mentioned this issue Oct 2, 2023
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130-unit-conversion-is-broken apax-hub/apax
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@M-R-Schaefer @Tetracarbonylnickel