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Merge pull request #106 from OpenFreeEnergy/fix_recursion_error
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Fix recursion error
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atravitz authored Jan 10, 2025
2 parents 36a8a98 + 6affa70 commit f0deb2b
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Showing 2 changed files with 2 additions and 10 deletions.
1 change: 1 addition & 0 deletions environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -27,6 +27,7 @@ dependencies:
# docs
- myst-parser
- pydata-sphinx-theme
- tqdm

- pip:
- dill
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11 changes: 1 addition & 10 deletions src/konnektor/network_tools/clustering/auxilliary_featurizer.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,16 +19,7 @@ def __init__(self, parallel: Union[bool, int] = False):
"""
super().__init__(parallel=parallel)
self.nBits = 1

@property
def fpSize(self):
return self.nBits

# Scikit-Learn expects to be able to set fpSize directly on object via .set_params(), so this updates nBits used by the abstract class
@fpSize.setter
def fpSize(self, fpSize):
self.nBits = fpSize
self.fpSize = 1

def _mol2fp(self, mol):
pass
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