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  1. LaREST LaREST Public

    LaREST: Lactone Ring-opening Energetics Sorting Tool

    Python 1 2

  2. virtualatoms/tropic virtualatoms/tropic Public

    TypeScript 4 1

  3. VMC VMC Public

    a Python Package simplifying the Visualisation of Markov Communities within proteins using PyMOL

    Python 2

  4. dotfiles dotfiles Public

    Lua

  5. NVIDIA/nvalchemi-toolkit NVIDIA/nvalchemi-toolkit Public

    ALCHEMI Toolkit is a developer toolkit for accelerating training and inference for AI in chemistry and material science.

    Python 96 24

  6. NVIDIA/nvalchemi-toolkit-ops NVIDIA/nvalchemi-toolkit-ops Public

    ALCHEMI Toolkit-Ops is a collection of optimized batch kernels to accelerate computational chemistry and material science workflows.

    Python 200 29