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atgrafs-ext

This repository is based on the work of Matthew A. Addicoat, Damien E. Coupry, and Thomas Heine, who developed the AuToGraFS (Automatic Topological Generator for Framework Structures) module, the following project seeks to expand their ideas and adapt their code to our system.

beamerthemesov

c_laboratory

Repository dedicated to do experiments in C dedicated to molecular dynamics.

cookiecutter-personal

ctools

Repository dedicated to store tools and scripts in C.

eqeq

Charge equilibration method for crystal structures

fedoranotesov

Repository created to keep track of my notes and small scripts made for linux and particularly fedora.

gentopol

Repository dedicated to generate topology files for GROMACS.

machine_learning

magdesign2024

Repository used to store useful scripts during the MagDesign project.

md_tools_scripts

mmofgen

MMOFGen or Massive MOF Generator is a module used to generate MOF families.

molcraft

Module used to manage molecular systems for molecular modeling and calculations.

molsim

Comprehending molecular simulation

molsim-tools

Repository dedicated to collect modules dedicated to molecular simulation.

todo.md

TODO.md file format - todomd.org

usefulscripts

Useful scripts for several tools and languages

web_scraping

Dedicated Web Scraping Repository