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Popular repositories Loading

  1. CP2K-Workshop CP2K-Workshop Public

    Some examples of how to run biased AIMD simulations using the CP2K software, combined with the ASE and PySAGES python packages.

    2

  2. NequIP-Workshop NequIP-Workshop Public

    A tutorial with examples of how to train and use the Allegro (NequIP) machine learning force field.

    Python 1

  3. Jacobian-Free-Continuation Jacobian-Free-Continuation Public

    An implementation of the Jacobian-free pseudo-arclength continuation algorithm described in Varner, Balzer, and Wang JCP 2024. This repository includes fully functioning example Python code for thr…

    Python 1 1

  4. svarner9.github.io svarner9.github.io Public

    JavaScript

  5. OpenMM-DPD-Test OpenMM-DPD-Test Public

    Python script(s) for running DPD simulations with OpenMM.

    Python

  6. Ising-Monte-Carlo-CUDA Ising-Monte-Carlo-CUDA Public

    A CUDA parallelized Monte Carlo simulation engine for the Ising model in 2d and 3d. This was developed as a passion project and to practice coding with CUDA kernels.

    Cuda 1