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Achievement: YOLOAchievement: StarstruckAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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  • spiff Public

    Forked from dontcallmedom/spiff

    A diff tool that highlights changes at the token (rather than line) level

    C 2 Updated Oct 15, 2024

  • vecexpr Public

    Vector-based pocket calculator for Tcl.

    C 1 GNU General Public License v3.0 Updated Jun 5, 2024

  • SAFEP_tutorial Public

    A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD

    tutorial alchemy namd free-energy-calculations safep
    TeX 9 2 Updated May 6, 2024

  • NAMD_regtests Public

    A set of regression tests for NAMD

    Shell Updated Apr 11, 2024

  • qwrap Public

    Fast PBC wrapping and unwrapping for VMD

    C 23 3 GNU General Public License v3.0 Updated Feb 26, 2024

  • vmd-scripts Public

    Collected VMD scripts for trajectory manipulation and analysis

    Tcl 2 Updated Feb 23, 2024

  • openmm Public

    Forked from openmm/openmm

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C Updated Jan 22, 2024

  • pyOptLE Public

    High-performance python implementation of optLE

    Jupyter Notebook GNU General Public License v3.0 Updated Dec 20, 2023

  • parseFEP Public

    A development branch of the VMD plugin to analyze NAMD's free energy calculations

    Tcl 2 3 Updated Oct 25, 2023

  • clustering Public

    Forked from luisico/clustering

    VMD plugin to calculate and visualize clusters of conformations for a trajectory

    Tcl 1 Other Updated Feb 3, 2023

  • Methods-for-enhanced-sampling-and-free-energy-calculations Public

    Enhanced sampling methods for molecular dynamics simulations

    livecoms
    TeX 35 3 Creative Commons Attribution 4.0 International Updated Dec 16, 2022

  • alchemify Public

    An X-PLOR PSF post-processor for alchemical free energy calculations in NAMD

    C 1 GNU General Public License v2.0 Updated Mar 8, 2022

  • alchemlyb Public

    Forked from alchemistry/alchemlyb

    the simple alchemistry library

    Python BSD 3-Clause "New" or "Revised" License Updated Oct 8, 2021

  • alchemtest Public

    Forked from alchemistry/alchemtest

    the simple alchemistry test set

    Python BSD 3-Clause "New" or "Revised" License Updated Aug 11, 2021

  • screentunes Public

    Forked from trishume/screentunes

    Play tones through an LCD monitor from a web page using an electronics quirk in some displays.

    JavaScript Updated Mar 19, 2015