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non-covalent-interactions

Here are 4 public repositories matching this topic...

duartegroup / resources

References, presentations and other resources

non-covalent-interactions

Updated Oct 31, 2023
Python

asterlingchem / Tutorials

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

Updated May 14, 2020

mitradip / data-analysis-md

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

Updated Feb 4, 2018
C++

IvanChernyshov / filter_los_csd

Code for the analysis of intermolecular interactions based on CSD structural data

csd non-covalent-interactions intermolecular-interactions

Updated Sep 30, 2024
Python

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