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Achievements

Achievement: StarstruckAchievement: Galaxy BrainAchievement: Pair ExtraordinaireAchievement: Pull Sharkx3Achievement: YOLOAchievement: Quickdraw

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@cmelab

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Pinned Loading

  1. mosdef-hub/mbuild mosdef-hub/mbuild Public

    A hierarchical, component based molecule builder

    Python 196 81

  2. mosdef-hub/gmso mosdef-hub/gmso Public

    Flexible storage of chemical topology for molecular simulation

    Python 63 36

  3. mosdef-hub/foyer mosdef-hub/foyer Public

    A package for atom-typing as well as applying and disseminating forcefields

    Python 133 77

  4. mosdef-hub/msibi mosdef-hub/msibi Public

    A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)

    Python 17 13

  5. mosdef-containers mosdef-containers Public

    Docker containers for MoSDeF

    1

  6. cmelab/flowerMD cmelab/flowerMD Public

    Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.

    Python 21 11