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20
Devhide
2025-01-06 13:09:36
242
Views
Bit match analogue for array of words (fingerprints)
Published on
06 January 2025 at 13:09
#arrays
#mongodb
#bitvector
#rdkit
#cheminformatics
1.9k
Views
apache doesn't respect LD_LIBRARY_PATH?
Published on
07 January 2025 at 14:53
#python
#apache
#mod-wsgi
#ld
#rdkit
280
Views
RDKit ERG Node attribute names python
Published on
07 January 2025 at 14:53
#python
#rdkit
4.3k
Views
Calculate descriptors with RDkit
Published on
07 January 2025 at 14:54
#descriptor
#rdkit
#molecule
9.4k
Views
Converting SMILES to chemical name or IUPAC name using rdkit or other python module
Published on
06 January 2025 at 13:13
#python
#rdkit
#cheminformatics
628
Views
Bioisosteric replacement using SMARTS (KNIME and RDKit)
Published on
06 January 2025 at 13:10
#knime
#chemistry
#rdkit
965
Views
I am trying to compile a bb recipe file in yocto. I am facing : make: *** No targets specified and no makefile found. Stop. erorr
Published on
07 January 2025 at 18:50
#yocto
#rdkit
245
Views
graph theory - connect point in 3D space with other three nearest points (distance based)
Published on
06 January 2025 at 13:13
#python
#python-3.x
#graph-theory
#chemistry
#rdkit
101
Views
How do I use get_mol() on a pdb file in RDKIT-JS?
Published on
07 January 2025 at 14:55
#javascript
#bioinformatics
#rdkit
87
Views
How to use the CalCRDF function of rdkit.Chem.rdMolDescriptors to calculate RDFs of selected atom/atom type?
Published on
07 January 2025 at 06:45
#chemistry
#rdkit
#cheminformatics
114
Views
MaxMin diversity selection with RDKit
Published on
06 January 2025 at 13:07
#algorithm
#sampling
#rdkit
#cheminformatics
194
Views
How to convert large sdf file to dataframe in RDKit
Published on
07 January 2025 at 14:56
#python
#pandas
#rdkit
94
Views
molecule image in vscode
Published on
07 January 2025 at 17:51
#python
#rdkit
198
Views
Draw a cloud or lines over the polar area of a molecule in RDKit
Published on
06 January 2025 at 13:11
#python
#rdkit
#cheminformatics
77
Views
How to polymerize repeating units of polymers into dimers
Published on
07 January 2025 at 14:58
#polymer
#rdkit
192
Views
IndexError: invalid index to scalar variable when trying to calculate AUC metrics with rdkit
Published on
07 January 2025 at 15:02
#python
#auc
#rdkit
63
Views
UnboundLocalError: local variable 'ff_cog' referenced before assignment, unsolved
Published on
07 January 2025 at 15:01
#python
#python-3.x
#function
#if-statement
#rdkit
3.5k
Views
IPython.display: how to change width, height and resolution of a displayed image
Published on
27 December 2024 at 15:08
#python
#jupyter-notebook
#displayobject
#rdkit
3.8k
Views
ArgumentError: Python argument types in rdkit.Chem.rdMolDescriptors.GetMorganFingerprintAsBitVect(NoneType, int) did not match C++ signature
Published on
07 January 2025 at 15:02
#python
#rdkit
5.9k
Views
RdKit Coordinates for atoms in a molecule
Published on
07 January 2025 at 14:54
#python
#chemistry
#rdkit
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