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Achievement: YOLOAchievement: Pull SharkAchievement: Starstruck

Achievements

Achievement: YOLOAchievement: Pull SharkAchievement: Starstruck

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  1. protonation-optimizer protonation-optimizer Public

    Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance

    Python 20 3

  2. QMMESP QMMESP Public

    Computing RESP charges of ligands in the local enviroment using QMMM

    Python 6 3