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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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11
Running an ORCA calculation from Python
Mar 7, 2023
answer
10
Generate structure using atomic coordinates
Feb 23, 2023
answer
9
How to use Multiwfn software (for charge density and ELF analysis)?
Mar 2, 2023
answer
8
How to create a molecular graph from smiles representation
Apr 15, 2023
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8
Python library to obtain atomic orbitals of atoms in the lowest energy state
Jul 15, 2023
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8
Is there any Python library for returning the atoms of a periodic material within a cube?
Aug 5, 2023
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7
Duplicate structure in PDB format?
Apr 25, 2023
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7
Using OpenBabel's gen3d in a Python notebook
Mar 19, 2023
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6
An algorithm for implicit bond order and charge allocation for atomic coordinates?
Mar 8, 2023
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Convert XYZ coordinates to Z-matrix
Mar 14, 2023
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