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rdk avatar rdk commented on June 11, 2024

Unfortunately currently there is no way how to specify separate conservation directories for training and test datasets. I will add the -conservation_dir_train in the next version.

In the meantime as a workaround you can use one of 2 approaches:

  1. create a single directory with conservation scores for both datasets
  2. put the conservation score files to the same directory as pdb files

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skodapetr avatar skodapetr commented on June 11, 2024

For the second approach - is it necessary to specify the conservation_dir ?

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rdk avatar rdk commented on June 11, 2024

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rdk avatar rdk commented on June 11, 2024

I will keep it open since adding -conservation_dir_train param should be implemented.

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rdk avatar rdk commented on June 11, 2024

In version 2.2 -conservation_dir param was replaced with -conservation_dirs which can contain multiple directories.

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