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ligpargen-server

Here are 4 public repositories matching this topic...

leelasd / ligpargen

A repository for tutorials and FAQ's about LigParGen

molecular-dynamics-simulation force-field ligpargen-server opls-aa

Updated Aug 12, 2018
Python

leelasd / LigParGen-CommandFiles

Command files needed to install LigParGen locally

boss molecular-dynamics-simulation force-field ligpargen-server opls-aa

Updated Nov 28, 2017

mana121 / SolvationStructure

Computational study of electrolyte structure in LIBs

vasp density-functional-theory molecular-dynamics-simulation lammps ligpargen-server solvation-structure opls-aa electrolytes

Updated Sep 18, 2025
Jupyter Notebook

leelasd / LigParGenTools

Scripts to set up condensed phase simulations using of LigParGen Server

condensed-phase-simulations liquid-simulations solvent-molecules ligpargen-server

Updated Feb 17, 2017
Python

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