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Chemistry
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theozh's user avatar
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theozh
  • Member for 5 years
  • Last seen more than a month ago
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11
Substructure search with RDKit
Feb 28, 2020
6
OpenBabel: how to get correct SMILES from Gaussian output?
Jul 30, 2019
6
How to search substructures with explicit hydrogen in RDKit?
Mar 6, 2020
6
How to find the largest cyclic substructure with RDKit?
Apr 29, 2021
6
Substructure search with RDKit
Feb 28, 2020
4
How to convert Gaussian input file .gjf to SMILES?
Jul 24, 2019
3
How to calculate molecular emission spectra?
Jul 18, 2019
3
Open Babel: conversion to SMILES. How to delete H?
Jul 26, 2019
3
Is there a Python module for calculating Ovality of a molecule?
May 26, 2020
3
How to convert Gaussian input file .gjf to SMILES?
Jul 26, 2019
Top network posts
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30
How to workaround "error tokenizing data"
25
7 mathematicians around the clock in prison
22
How to workaround "error tokenizing data"
21
gnuplot: apply colornames from datafile
15
Move exactly two matches to make the two sides equal