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10 followers · 5 following

Achievements

Achievement: QuickdrawAchievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault Contributor

Achievements

Achievement: QuickdrawAchievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault Contributor

Highlights

  • Pro

Organizations

@Ferg-Lab

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sivadasetty/README.md

Pinned Loading

  1. Ferg-Lab/pines Ferg-Lab/pines Public

    Permutationally invariant networks for enhanced sampling (PINES)

    C++ 7 1

  2. Ferg-Lab/activeLearningPFASLinear Ferg-Lab/activeLearningPFASLinear Public

    Data-driven discovery of linear molecular probes with optimal selective affinity for PFAS in water

    Jupyter Notebook 3 1

  3. image_method_MICCoM image_method_MICCoM Public

    LAMMPS fix for calculating many-body forces using image method.

    C++ 1

  4. SSAGESLabs/PySAGES SSAGESLabs/PySAGES Public

    Python Suite for Advanced General Ensemble Simulations

    Python 109 33

  5. containers containers Public

    singularity definitions of GROMACS

    Shell 3 1

  6. Ferg-Lab/integrin_molgen Ferg-Lab/integrin_molgen Public

    Deep generative modeling of large multi-molecular systems

    Jupyter Notebook 1