List Question
20 TechQA 2024-03-16T22:11:17.333000Using smiles strings as database keys
19 views
Asked by nate
Why Morgan Fingerprints for the molecules in my data does not plateaus with increasing number of bits?
63 views
Asked by Arko Mohari
Similarity search in a python database using rdkit
37 views
Asked by Vincent_chem
Draw a cloud or lines over the polar area of a molecule in RDKit
215 views
Asked by Time Step
MaxMin diversity selection with RDKit
130 views
Asked by rgoth
Jupyter notebook not reading my 'SMILES' to make Morgan Fingerprints
54 views
Asked by Emma Fath
Setting 'ball and stick' as default for new molecules in pymol
157 views
Asked by user21101711
How to choose right function from RDKit to calculate atomic RMSD?
307 views
Asked by vahahahart
How to import a SDF or sd file in python?
291 views
Asked by akhil jumde
Get 3D Chemical Structures - Python Automation
761 views
Asked by Mirk
Is it stupid to do l2 normalization with sklearns Normalizer for a correlation analysis on this type of dataset?
47 views
Asked by kaffeesatz
Accessing output of RDKIT Chem.FindAllSubgraphsOfLengthN(mol,n)
247 views
Asked by meadeytabeedy
How to obtain all n atom fragments (substructures) from a mol file using RDKIT?
925 views
Asked by meadeytabeedy
MACCS Fingerprint
221 views
Asked by Emma Fath
MACCS Fingerprint can't be made even though I could do it with Morgan
68 views
Asked by Emma Fath
How to deal with the peptide sequences that have atypical amino acids in the seuqnces?
75 views
Asked by S.EB
Is there a way to calculate overlap percentage/score from a perspective of smaller chemical structure?
165 views
Asked by rkarki
How to use the ChEMBL API to download the chembldescriptors?
303 views
Asked by LePe77it
How to parse and get known individual elements, not characters, from a smiles string in Python
399 views
Asked by Prateek Verma