rdkit

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How to separate a list of molecules based on how many hydrogens are attached to a certain atom?
user_175361870
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chemistry cheminformatics rdkit python
How to save rdkit DrawMorganBit output as image?
user_191496980
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264
chemistry rdkit draw image python
Can someone tell why Chem.MolFromSmiles is not converting list of SMILES into mol objects in RDKit?
user_194120670
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89
cheminformatics rdkit python c++
How to create a boost property map between rdkit molecular bond graph edges and BGL biconnected component identifiers?
user_184729710
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boost-property-map rdkit boost-graph boost c++
Handling SMILES with metal ions in RDKit
user_150089560
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174
rdkit python
Python argument types in rdkit.Chem.rdmolfiles.MolToMolBlock(NoneType)
user_124360500
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131
rdkit python
Finding the relative position of molecular substructures with RDKit
user_8602020
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218
chemistry rdkit python
RdKit Coordinates for atoms in a molecule
user_180201620
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718
chemistry rdkit python
RDKit crashing Notebook Kernel on import
user_99373090
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254
rdkit jupyter-notebook python
RDKit: "TypeError: 'Mol' object is not iterable" when attempting looped enumeration
user_180608810
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179
chemistry cheminformatics rdkit enumeration python
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