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ImportError: cannot import name 'MoleculeSetupEncoder' from 'meeko.molsetup' #304

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kaiweiii opened this issue Jan 7, 2025 · 2 comments

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@kaiweiii
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kaiweiii commented Jan 7, 2025

The meeko version is 0.6.1
when I run import meeko in Jupyter notebook
Error shows as

ImportError Traceback (most recent call last)
Cell In[8], line 1
----> 1 import meeko

File c:\Users\kaiwe\AppData\Local\Programs\Python\Python312\Lib\site-packages\meeko_init_.py:19
17 from .molsetup import RDKitMoleculeSetup
18 from .molsetup import MoleculeSetup
---> 19 from .molsetup import MoleculeSetupEncoder
20 from .molsetup import Restraint
21 from .molsetup import UniqAtomParams

ImportError: cannot import name 'MoleculeSetupEncoder' from 'meeko.molsetup' (c:\Users\kaiwe\AppData\Local\Programs\Python\Python312\Lib\site-packages\meeko\molsetup.py)

@diogomart
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Looks like a conflict between different versions installed simultaneously. Usually the easiest solution is to start with a new conda/virtual environment and install everything from scratch.

@kaiweiii
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kaiweiii commented Jan 8, 2025

Looks like a conflict between different versions installed simultaneously. Usually the easiest solution is to start with a new conda/virtual environment and install everything from scratch.

Thank you so much! It works after I created a new virtual environment. (In case someone has the same issue, Scipy, rdkit, and gemmi will also need to be installed in the new environment)

@kaiweiii kaiweiii closed this as completed Jan 8, 2025
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