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update README
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@albertbou92
albertbou92 committed Aug 6, 2024
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Expand Up @@ -81,6 +81,7 @@ To install the required dependencies run the following commands. Replace `cu121`

Unless you intend to define your own custom scoring functions, install MolScore by running

pip3 install rdkit==2023.3.3, joblib
pip3 install MolScore

To use the scaffold decoration and fragment linking, install promptsmiles by running
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