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ResidueChemTemplatesEncoder not saving smiles #286

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rwxayheee opened this issue Dec 16, 2024 · 1 comment
Closed

ResidueChemTemplatesEncoder not saving smiles #286

rwxayheee opened this issue Dec 16, 2024 · 1 comment
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rwxayheee commented Dec 16, 2024 •
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posting as a known issue. feature
the template mol is saved, but not the identical Smiles from the input template file
@rwxayheee rwxayheee self-assigned this Dec 16, 2024
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This is not an issue, sorry about that. Was a little confused ResidueChemTemplates.from_json_file can't read json file written by ResidueChemTemplatesEncoder. I understand now the encoding is layered, and Smiles is not present in the encoded json

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