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  1. ATGraFS-ext ATGraFS-ext Public

    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 f…

    Python

  2. molcraft molcraft Public

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

    Python 1

  3. gentopol gentopol Public

    Repository dedicated to generate topology files for GROMACS.

    Python 2

  4. MD_tools_scripts MD_tools_scripts Public

    Python