Matter Modeling
rapelpy's user avatar
rapelpy's user avatar
rapelpy's user avatar
rapelpy
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Old fashioned chemistry laboratory technician who plays with python and cheminformatics

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All Questions Answers
Score Newest
answer
11
How to plot molecules with angles and bond lengths
Dec 28, 2021
answer
6
RDkit and PySmiles results differ on some SMILES strings
Jul 31, 2021
answer
5
Excluding certain sp3-hybridized carbons with SMARTS
May 1, 2021
answer
5
Unexpected atoms while working with XYZ files in rdkit
Mar 12
answer
5
Cannot draw resonance structure (kekule forms) of a molecule in RDKit
May 13
answer
4
How to obtain fingerprint bits as SMARTS pattern in RDKit
Aug 25, 2022
answer
3
How do you determine substitution patterns using RDKit?
Apr 19, 2022
Top network posts
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18
Converting molecule name to SMILES?
15
RDKit: how to check molecules for exact match?
12
Rotating molecule representations with rdkit
11
How to use RDKit to calculte molecular fingerprint and similarity of a list of SMILE structures?
8
Search by CAS Registry name to obtain trackable accession: ie InChI?

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