ProLIF has been upgraded to [2.0.0] - 2023-09-03

[stan1233]

https://prolif.readthedocs.io/en/latest/source/changelog.html#removed

Removed the return_atoms argument in Fingerprint.to_dataframe. Users should directly use Fingerprint.ifp instead (the documentation’s tutorials have been updated accordingly).

An error occurs when running the Show prolif fingerprint script in colab:

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TypeError Traceback (most recent call last) in <cell line: 16>() 14 fp.run_from_iterable(lig_suppl, prot) 15 ---> 16 df_prolif = fp.to_dataframe(return_atoms=True) 17 display(df_prolif) 18

TypeError: Fingerprint.to_dataframe() got an unexpected keyword argument 'return_atoms'