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  1. molcraft molcraft Public

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

    Python 1

  2. gentopol gentopol Public

    Repository dedicated to generate topology files for GROMACS.

    Python 2

  3. MD_tools_scripts MD_tools_scripts Public

    Python

  4. Aggregate-analysis Aggregate-analysis Public

    Tools and routines implemented in Python to analyze aggregates in systems generated by GROMACS.

    Python

  5. WABgen WABgen Public

    Python module used to generate MOF.

    Python

  6. ToBaCco ToBaCco Public

    Topological MOF generator by molecular block alignment. This version has as starting point the tobacco_3.0 (https://github.com/tobacco-mofs/tobacco_3.0) version.

    Python