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20
Devhide
2015-06-23 15:29:10
184
Views
Bit match analogue for array of words (fingerprints)
Published on
23 June 2015 at 15:29
#arrays
#mongodb
#bitvector
#rdkit
#cheminformatics
1.9k
Views
apache doesn't respect LD_LIBRARY_PATH?
Published on
10 September 2013 at 17:37
#python
#apache
#mod-wsgi
#ld
#rdkit
228
Views
RDKit ERG Node attribute names python
Published on
26 September 2020 at 11:38
#python
#rdkit
4.3k
Views
Calculate descriptors with RDkit
Published on
30 September 2020 at 16:18
#descriptor
#rdkit
#molecule
9.3k
Views
Converting SMILES to chemical name or IUPAC name using rdkit or other python module
Published on
13 October 2020 at 05:27
#python
#rdkit
#cheminformatics
569
Views
Bioisosteric replacement using SMARTS (KNIME and RDKit)
Published on
13 October 2020 at 17:11
#knime
#chemistry
#rdkit
914
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
19 October 2020 at 09:18
#yocto
#rdkit
186
Views
graph theory - connect point in 3D space with other three nearest points (distance based)
Published on
19 October 2020 at 11:45
#python
#python-3.x
#graph-theory
#chemistry
#rdkit
52
Views
How do I use get_mol() on a pdb file in RDKIT-JS?
Published on
04 November 2023 at 19:00
#javascript
#bioinformatics
#rdkit
35
Views
How to use the CalCRDF function of rdkit.Chem.rdMolDescriptors to calculate RDFs of selected atom/atom type?
Published on
23 November 2023 at 14:04
#chemistry
#rdkit
#cheminformatics
65
Views
MaxMin diversity selection with RDKit
Published on
21 November 2023 at 04:05
#algorithm
#sampling
#rdkit
#cheminformatics
180
Views
How to convert large sdf file to dataframe in RDKit
Published on
23 November 2023 at 00:16
#python
#pandas
#rdkit
76
Views
molecule image in vscode
Published on
01 December 2023 at 21:11
#python
#rdkit
136
Views
Draw a cloud or lines over the polar area of a molecule in RDKit
Published on
10 December 2023 at 04:10
#python
#rdkit
#cheminformatics
63
Views
How to polymerize repeating units of polymers into dimers
Published on
11 December 2023 at 13:11
#polymer
#rdkit
177
Views
IndexError: invalid index to scalar variable when trying to calculate AUC metrics with rdkit
Published on
25 November 2020 at 22:39
#python
#auc
#rdkit
46
Views
UnboundLocalError: local variable 'ff_cog' referenced before assignment, unsolved
Published on
03 December 2020 at 05:28
#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
14 December 2020 at 08:06
#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 April 2022 at 04:47
#python
#rdkit
5.9k
Views
RdKit Coordinates for atoms in a molecule
Published on
18 April 2022 at 18:09
#python
#chemistry
#rdkit
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