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"sanitize_smiles" not defined #1

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zemanet2020 opened this issue Apr 9, 2023 · 2 comments
Closed

"sanitize_smiles" not defined #1

zemanet2020 opened this issue Apr 9, 2023 · 2 comments

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@zemanet2020
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"sanitize_smiles" is called in predict_CLI.py, but this function is not defined in data/utils/smiles_standardization.py or anywhere.
@martin-sicho
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Hi, very sorry for the late reply! Can you try in the new snapshot? You can install it like this:

pip install git+https://github.com/CDDLeiden/[email protected]

The problem should be fixed there.

@martin-sicho
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Closed for inactivity. Let us know if you still need help.

@martin-sicho martin-sicho closed this as not planned Won't fix, can't repro, duplicate, stale Sep 21, 2023
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@martin-sicho @zemanet2020