Matter Modeling
Vandan Revanur's user avatar
Vandan Revanur's user avatar
Vandan Revanur's user avatar
Vandan Revanur
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Master's in Intelligent systems | Computational Chemistry | Python | Movie buff | Chess enthusiast | Fitness | Optimistic Realist

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View all questions and answers
All Questions Answers
Score Newest
answer
11
Running an ORCA calculation from Python
Mar 7
answer
10
Generate structure using atomic coordinates
Feb 23
answer
9
How to use Multiwfn software (for charge density and ELF analysis)?
Mar 2
answer
8
Python library to obtain atomic orbitals of atoms in the lowest energy state
Jul 15
answer
8
Is there any Python library for returning the atoms of a periodic material within a cube?
Aug 5
answer
7
Using OpenBabel's gen3d in a Python notebook
Mar 19
answer
7
How to create a molecular graph from smiles representation
Apr 15
answer
7
Duplicate structure in PDB format?
Apr 25
answer
6
How to generate the SMILES for .cif files correctly and how do I generate .pkl or .pickle file out of these SMILES
May 7
answer
6
A python compatible GUI chemical drawing library/software
Feb 9

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