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Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: Pull Sharkx3Achievement: YOLOAchievement: Arctic Code Vault ContributorAchievement: Starstruck

Achievements

Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: Pull Sharkx3Achievement: YOLOAchievement: Arctic Code Vault ContributorAchievement: Starstruck

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  1. Muller-Brown-Potential Muller-Brown-Potential Public

    A modern, efficient PyTorch implementation of the Müller-Brown potential energy surface with Langevin dynamics simulation.

    Python 1 1

  2. Kabsch-Cookbook Kabsch-Cookbook Public

    A collection of the Kabsch (SVD-based) and Horn (Quaternion-based) optimal structural alignment algorithms, implemented in Python (NumPy, PyTorch, JAX, TensorFlow, MLX).

    Python 1

  3. mini-proteins mini-proteins Public

    Simple molecular dynamics simulations of mini proteins in GROMACS. Designed to facilitate machine learning algorithim development and encourage greater dataset diversity.

    Shell 2 1

  4. argon-simulation argon-simulation Public

    LAMMPS argon simulation, replication of Rahman's original 1964 work.

    Python 1

  5. isomer-classification isomer-classification Public

    Python 1

  6. pyconversations pyconversations Public archive

    A Python utility for social media conversational analysis.

    Python 1