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Achievements

Achievement: Pull Sharkx2Achievement: QuickdrawAchievement: YOLO

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  1. waterEntropy waterEntropy Public

    Python package for calculating interfacial water entropy from molecular dynamics simulations

    Python

  2. PSDI-UK/aiida-gromacs PSDI-UK/aiida-gromacs Public

    A GROMACS plugin for AiiDA

    Python 7 3

  3. PSDI-UK/aiida-amber PSDI-UK/aiida-amber Public

    An Amber plugin for AiiDA

    Python 1

  4. PSDI-UK/biosimdb-app PSDI-UK/biosimdb-app Public

    Demo for the biomolecular simulation database

    Python