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'morgan' kind is causing error in FPVecTransformer #107

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alkorolyov opened this issue Sep 11, 2024 · 0 comments
Open
1 task done

'morgan' kind is causing error in FPVecTransformer #107

alkorolyov opened this issue Sep 11, 2024 · 0 comments
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bug Something isn't working

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@alkorolyov
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Is there an existing issue for this?

  • I have searched the existing issues and found nothing

Bug description

'morgan' kind is causing error in FPVecTransformer, however in the source code it should be substituted with ecfp

How to reproduce the bug

from molfeat.trans import FPVecTransformer
FPVecTransformer('morgan')

Error messages and logs

# Error messages and logs here please
ValueError: morgan is not a valid featurizer

Environment

Current environment
- Molfeat version (e.g., 0.1.0): 0.10.1
- PyTorch Version (e.g., 1.10.0):2.2.2
- RDKit version (e.g., 2022.09.5): 2024.3.5
- scikit-learn version (e.g.,  1.2.1): 1.5.1
- OS (e.g., Linux): WSL2
- How you installed Molfeat (`conda`, `pip`, source): conda

Additional context

No response

@alkorolyov alkorolyov added the bug Something isn't working label Sep 11, 2024
alkorolyov added a commit to alkorolyov/molfeat that referenced this issue Sep 11, 2024
Simple fix for an existing issue with 'morgan' kind in FPVecTransformer 
datamol-io#107
@alkorolyov alkorolyov mentioned this issue Sep 11, 2024
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