Comments (3)
Your version of python predates the current documentation. This code works in version 2023.03.3 and greater.
from rdkit.
https://pypi.org/project/rdkit/ has the newer versions
from rdkit.
https://pypi.org/project/rdkit/ has the newer versions
As does conda-forge, which I recommend over pypi unless you have a very good reason to not be able to use conda-forge
from rdkit.
Related Issues (20)
- `GetBPFingerprint` and `GetBTFingerprint` deprecation warning
- Bug! HOT 3
- EnumerateStereoisomers Runtime error when enumerate guanidine derivatives on rdkit 2024.03.4 HOT 1
- Traceback (most recent call last): File "C:\Users\zzc\Desktop\practice\Smiles_to_Graph\smiles_to_struture.py", line 33, in <module> generation_images(df) File "C:\Users\zzc\Desktop\practice\Smiles_to_Graph\smiles_to_struture.py", line 18, in generation_images Draw.MolToFile(mol, f"./generation/img{i}.png", size=(150, 100)) File "C:\py\envs\pytorch\lib\site-packages\rdkit\Chem\Draw\__init__.py", line 312, in MolToFile with open(filename, 'w+' + mode) as outf: OSError: [Errno 22] Invalid argument: './generation/img*C*.png' HOT 1
- Crash of multithreaded versions of XXXInPlace() functions HOT 8
- Loading SDF file works in RDKit 2024.03.3 but not 2024.03.4 HOT 5
- Bad solid wedge to alkyne group
- Missing Tautomers for Zwitterions HOT 3
- Deprecation warning from Descriptors.CalcMolDescriptors
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers. HOT 2
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- EnumerateLibrary.GetPosition() surprisingly slow HOT 4
- Multithreaded InPlace standardization functions seg fault if there's a duplicate molecule
- XXXInPlace() for multiple molecules: Return list of indices indicating failures
- The Python type hint for GetMolLayers in RegistrationHash.py appears incorrect
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from rdkit.