StackOverflow Questions for Tag: rdkit

sudododo

Reputation: 55

Compound classification using RDkit

rdkitcheminformatics

Score: 2

Answers: 2

hehe

Reputation: 755

Create a scaled molecule rdkit

pythonchemistryrdkit

Score: 0

Answers: 2

samusmaster210

Reputation: 31

RdKit Coordinates for atoms in a molecule

pythonchemistryrdkit

Score: 3

Answers: 1

eod

Reputation: 483

RDKit convert Mol file sdf v3000 to v2000

rdkit

Score: 1

Answers: 1

user28594497

Reputation: 1

Are there cases where my RDKit code for identifying bridgehead atoms and Bredt's Rule violations might fail?

pythonrdkit

Score: 0

Answers: 1

Me4836

Reputation: 58

Is there any way to convert Morgan fingerprint into a way I can figure out what molecule it is?

pythonbioinformaticsrdkit

Score: 2

Answers: 3

Frederik

Reputation: 31

Cannot convert '<!-' to unsigned int

pythonrdkit

Score: 2

Answers: 2

jFang

Reputation: 91

rdkit: How to show molecular's atoms number/indexes

numbersdisplayrdkitmoleculer

Score: 9

Answers: 3

scylla

Reputation: 33

RDKit SetScale method for drawing

methodssetscaledrawrdkit

Score: 1

Answers: 0

fuchsdeluxe

Reputation: 27

How to change highlight color using MolsToGridImage in RDKit using python?

pythonrdkit

Score: 1

Answers: 1

Zayyan Masud

Reputation: 189

Highlighting smiles features with rdkit

pythonimagerdkit

Score: 2

Answers: 1

dandan

Reputation: 1

Trouble with Rdkit when converting to molecular fingerprints

rdkit

Score: 0

Answers: 1

akhil jumde

Reputation: 1

How to import a SDF or sd file in python?

pythonchemistryrdkitcheminformatics

Score: 0

Answers: 1

Gelin Loris

Reputation: 1

Problem creating a SMILES object that can then be used to create a MOL object

chemistryrdkitmoleculesmile

Score: 0

Answers: 1

user10913305

Reputation:

How to catch the error message from Chem.MolFromSmiles('Formula')

pythonrdkit

Score: 4

Answers: 2

M.Vu

Reputation: 488

CDPKit MoleculeReader.init(MoleculeReader, str, str) did not match C++ signature

python-3.xrdkitcheminformaticscdpkit

Score: 0

Answers: 1

M.Vu

Reputation: 488

rdkit.Chem.rdForceFieldHelpers.UFFOptimizeMolecule(int) did not match C++ signature

python-3.xrdkitcheminformatics

Score: 0

Answers: 1

Mohammad

Reputation: 1013

How to save "IPython.core.display.SVG" as PNG file?

svgjupyter-notebookipythonpngrdkit

Score: 1

Answers: 2

J.Doe

Reputation: 434

RDKit image MolToImage scales Bond widths and Element Labels inconsistently for different image sizes?

pythonimagepython-imaging-libraryrdkit

Score: 4

Answers: 1

Nigel W. Moriarty

Reputation: 11

RDKit atom mapping

rdkit

Score: 1

Answers: 1

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StackOverflow Questions for Tag: rdkit

Compound classification using RDkit

Create a scaled molecule rdkit

RdKit Coordinates for atoms in a molecule

RDKit convert Mol file sdf v3000 to v2000

Are there cases where my RDKit code for identifying bridgehead atoms and Bredt&#39;s Rule violations might fail?

Is there any way to convert Morgan fingerprint into a way I can figure out what molecule it is?

Cannot convert &#39;&lt;!-&#39; to unsigned int

rdkit: How to show molecular&#39;s atoms number/indexes

RDKit SetScale method for drawing

How to change highlight color using MolsToGridImage in RDKit using python?

Highlighting smiles features with rdkit

Trouble with Rdkit when converting to molecular fingerprints

How to import a SDF or sd file in python?

Problem creating a SMILES object that can then be used to create a MOL object

How to catch the error message from Chem.MolFromSmiles(&#39;Formula&#39;)

CDPKit MoleculeReader.__init__(MoleculeReader, str, str) did not match C++ signature

rdkit.Chem.rdForceFieldHelpers.UFFOptimizeMolecule(int) did not match C++ signature

How to save &quot;IPython.core.display.SVG&quot; as PNG file?

RDKit image MolToImage scales Bond widths and Element Labels inconsistently for different image sizes?

RDKit atom mapping

Are there cases where my RDKit code for identifying bridgehead atoms and Bredt's Rule violations might fail?

Cannot convert '<!-' to unsigned int

rdkit: How to show molecular's atoms number/indexes

How to catch the error message from Chem.MolFromSmiles('Formula')

CDPKit MoleculeReader.init(MoleculeReader, str, str) did not match C++ signature

How to save "IPython.core.display.SVG" as PNG file?