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Replace rdkit.six with six #385

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Replace rdkit.six with six #385

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d4fe209
Replaced RDKit.six instances with six
NicklasOsterbacka Dec 3, 2025
1c0567a
Added six as a dependency
NicklasOsterbacka Dec 3, 2025
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1 change: 1 addition & 0 deletions environment.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -41,6 +41,7 @@ dependencies:
- torchvision==0.16.1
- transformers==4.43.4
- yapf==0.40.2
- six==1.17.0

variables:
KMP_DUPLICATE_LIB_OK: "TRUE"
4 changes: 2 additions & 2 deletions examples/generation/docking_generation/GCPN/gym-molecule/gym_molecule/envs/sascorer.py
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Expand Up @@ -19,8 +19,8 @@

from rdkit import Chem
from rdkit.Chem import rdMolDescriptors
from rdkit.six.moves import cPickle
from rdkit.six import iteritems
from six.moves import cPickle
from six import iteritems

import math
from collections import defaultdict
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2 changes: 1 addition & 1 deletion examples/generation/docking_generation/MARS/estimator/scorer/sa_scorer.py
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Expand Up @@ -24,7 +24,7 @@

from rdkit import Chem
from rdkit.Chem import rdMolDescriptors
from rdkit.six import iteritems
from six import iteritems

_fscores = None

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1 change: 1 addition & 0 deletions requirements.txt
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Expand Up @@ -17,3 +17,4 @@ gget>=0.28.4,<1.0.0
pydantic>=2.6.3,<3.0.0
rdkit>=2023.9.5,<2024.3.1
tiledbsoma>=1.7.2,<2.0.0
six==1.17.0
2 changes: 1 addition & 1 deletion tdc/chem_utils/oracle/oracle.py
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Expand Up @@ -21,7 +21,7 @@

rdBase.DisableLog("rdApp.error")
from rdkit.Chem import rdMolDescriptors
from rdkit.six import iteritems
from six import iteritems
except:
raise ImportError(
"Please install rdkit by 'conda install -c conda-forge rdkit'! ")
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