StackOverflow Questions for Tag: rdkit

Mohammad

Reputation: 1013

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

svgjupyter-notebookipythonpngrdkit

Score: 1

Answers: 2

J.Doe

Reputation: 474

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

QuantumChris

Reputation: 1093

Why does an rdkit function only work when I import something else?

pythonpython-3.xrdkit

Score: 2

Answers: 1

Luc M

Reputation: 209

Postgresql create extension works on cluster stored on external drive, but not on main cluster

postgresqlrdkitpostgresql-extensionspostgresql-16

Score: 0

Answers: 0

crime-brulee

Reputation: 29

Installing rdkit on AWS glue, can't find setup.py

pythonaws-gluerdkit

Score: 1

Answers: 1

Lukas Kaspras

Reputation: 458

AttributeError: 'Mol' object has no attribute 'Compute2DCoords'

chemistryrdkitmolecule

Score: 0

Answers: 1

M.Vu

Reputation: 492

RDKit PandasTools WriteSDF: RuntimeError: Bad pickle format: unexpected End-of-File while reading

python-3.xpandaspicklerdkitsdf

Score: 0

Answers: 1

Telemann314

Reputation: 113

How do I retrieve the original atom indices after rdikit's Chem.RemoveAtom() reindexes them?

pythonchemistryrdkit

Score: 1

Answers: 1

Cheng Rachel

Reputation: 1

"AllChem" is not defined in using rdkit

rdkit

Score: 0

Answers: 1

Sean

Reputation: 3450

Getting ImportError /usr/lib/x86_64-linux-gnu/libstdc++.so.6: version 'CXXABI_1.3.11' not found

pythonlinuxlibstdc++rdkit

Score: 1

Answers: 3

Haneul Park

Reputation: 1

RDKit- How can we print problematic molecules and their issues together?

pythonsanitizationchemistryrdkit

Score: 0

Answers: 0

as_odai

Reputation: 11

How to map atom ids (from fragment to original molecule) from a RECAP fragmenter in rdkit?

rdkitcheminformatics

Score: 1

Answers: 0

vdlmrc

Reputation: 755

Bond Type of ligands in PDB files all appear as SINGLE

pdbrdkitprotein-database

Score: 3

Answers: 1

Cedric Baerlocher

Reputation: 61

finding bicyclic compound and identifying them, as well as larger aromatic systems

pythonalgorithmchemistryrdkitcheminformatics

Score: 4

Answers: 0

Cedric Baerlocher

Reputation: 61

Detecting chemical groups from smiles using Smart

pythondetectionchemistryrdkitcheminformatics

Score: 2

Answers: 0

Javier Badilla

Reputation: 3

Pyinstaller´s resulting executable goes blank and crashes

pythonpyinstallerrdkit

Score: 0

Answers: 1

Michael Testini

Reputation: 3

How can i insert x dictionary in a DataFrame?

pythonpandasdictionaryrdkit

Score: 0

Answers: 2

user22710686

Reputation: 11

Compute Tanimoto similarity from a csv file of bitstrings

similarityrdkit

Score: 1

Answers: 1

Arko Mohari

Reputation: 13

Why Morgan Fingerprints for the molecules in my data does not plateaus with increasing number of bits?

pythonrdkitcheminformatics

Score: 1

Answers: 1

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StackOverflow Questions for Tag: rdkit

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

Why does an rdkit function only work when I import something else?

Postgresql create extension works on cluster stored on external drive, but not on main cluster

Installing rdkit on AWS glue, can&#39;t find setup.py

AttributeError: &#39;Mol&#39; object has no attribute &#39;Compute2DCoords&#39;

RDKit PandasTools WriteSDF: RuntimeError: Bad pickle format: unexpected End-of-File while reading

How do I retrieve the original atom indices after rdikit&#39;s Chem.RemoveAtom() reindexes them?

&quot;AllChem&quot; is not defined in using rdkit

Getting ImportError /usr/lib/x86_64-linux-gnu/libstdc++.so.6: version &#39;CXXABI_1.3.11&#39; not found

RDKit- How can we print problematic molecules and their issues together?

How to map atom ids (from fragment to original molecule) from a RECAP fragmenter in rdkit?

Bond Type of ligands in PDB files all appear as SINGLE

finding bicyclic compound and identifying them, as well as larger aromatic systems

Detecting chemical groups from smiles using Smart

Pyinstaller&#180;s resulting executable goes blank and crashes

How can i insert x dictionary in a DataFrame?

Compute Tanimoto similarity from a csv file of bitstrings

Why Morgan Fingerprints for the molecules in my data does not plateaus with increasing number of bits?

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

Installing rdkit on AWS glue, can't find setup.py

AttributeError: 'Mol' object has no attribute 'Compute2DCoords'

How do I retrieve the original atom indices after rdikit's Chem.RemoveAtom() reindexes them?

"AllChem" is not defined in using rdkit

Getting ImportError /usr/lib/x86_64-linux-gnu/libstdc++.so.6: version 'CXXABI_1.3.11' not found

Pyinstaller´s resulting executable goes blank and crashes