Chemistry
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theozh's user avatar
theozh's user avatar
theozh
  • Member for 4 years, 2 months
  • Last seen more than a week ago
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633
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2
answers
9
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55
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5
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8
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73
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3
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36
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Top posts
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All Questions Answers
Score Newest
question
10
Substructure search with RDKit
Feb 28, 2020
question
6
OpenBabel: how to get correct SMILES from Gaussian output?
Jul 30, 2019
question
6
How to search substructures with explicit hydrogen in RDKit?
Mar 6, 2020
question
5
How to find the largest cyclic substructure with RDKit?
Apr 29, 2021
answer
5
Substructure search with RDKit
Feb 28, 2020
question
4
How to convert Gaussian input file .gjf to SMILES?
Jul 24, 2019
question
3
How to calculate molecular emission spectra?
Jul 18, 2019
question
3
Open Babel: conversion to SMILES. How to delete H?
Jul 26, 2019
question
3
Is there a Python module for calculating Ovality of a molecule?
May 26, 2020
answer
3
How to convert Gaussian input file .gjf to SMILES?
Jul 26, 2019
Top network posts
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29
Pandas: How to workaround "error tokenizing data"?
24
7 mathematicians around the clock in prison
22
Pandas: How to workaround "error tokenizing data"?
19
gnuplot: apply colornames from datafile
12
RDKit: how to check molecules for exact match?

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