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non-covalent-interactions
Here are 4 public repositories matching this topic...
A repository containing tutorials for electronic structure analysis
pymol quantum-chemistry orca electron-density electronic-structure electronic-structure-calculations non-covalent-interactions orca-quantum-chemistry
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May 14, 2020
Data Analysis of MD Simulation
analysis rdf pdb molecular-dynamics molecular-dynamics-simulation data-analysis interaction msd tcf pdb-files radial-distribution-function interaction-dynamics niser bhubaneswar mean-square-displacement time-correlation-function interaction-statistics non-covalent-interactions
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Feb 4, 2018 - C++
Code for the analysis of intermolecular interactions based on CSD structural data
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Updated
Sep 30, 2024 - Python
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