@Amber-MD

Amber Molecular Dynamics

For experienced Amber users: development versions of some parts of AmberTools

Pinned repositories

  1. install_ambertools

    Install AmberTools binary distribution with all Python requirements

    Shell 2

  2. repo-notes

    An entry point. Please add a brief note here if you adding a new github repo.

  • ambertools-ci

    Continuous integration (kind of).

    molecular-dynamics-simulation
    Python 2 Updated Jul 23, 2017

  • pytraj

    Interactive data analysis for molecular dynamics simulations

    visualization molecular-dynamics interactive-analysis trajectory-analysis ambermd ambertools
    Jupyter Notebook 32 11 Updated Jul 22, 2017

  • cphstats

    Program to calculate statistics of protonation states from constant pH molecular dynamics simulations run by the Amber program suite

    C++ 1 1 Updated Jul 22, 2017

  • cpptraj

    Biomolecular simulation trajectory/data analysis.

    C++ 20 18 Updated Jul 21, 2017

  • pdb4amber

    PDB analyzer and visualizer for Amber simulations

    visualization molecular-dynamics molecular-graphics data-processing ambermd ambertools
    Python 1 1 Updated Jul 21, 2017

  • ambertools-binary-build

    ambertools-binary-build (include conda-build). EXPERIMENTAL.

    conda molecular-dynamics-simulation ambermd ambertools
    Python 1 1 Updated Jul 19, 2017

  • install_ambertools

    Install AmberTools binary distribution with all Python requirements

    conda molecular-dynamics-simulation ambermd ambertools
    Shell 2 Updated Jun 8, 2017

  • ambertools-binary-test

    Forked from hainm/ambertools-binary-test

    Yes, it is

    Python 1 Updated Apr 20, 2017

  • pymsmt

    Python Metal Site Modeling Toolbox

    Python 6 6 Updated Apr 18, 2017

  • ParmEd

    Forked from ParmEd/ParmEd

    Parameter/topology editor and molecular simulator

    Python 1 41 Updated Mar 1, 2017

  • nglview

    Forked from arose/nglview

    IPython widget to interactively view molecular structures and trajectories

    Jupyter Notebook 22 Updated Jan 24, 2017

  • developer-guide

    tips to work on github

    Updated Jan 20, 2017

  • amber-jupyterhub

    Multi-user server for Jupyter notebooks for AMBER users.

    deployment jupyterhub ambermd
    Shell Updated Jan 11, 2017

  • amber-md.github.io

    A place to hold auto-generated API documentation for some packages in AMBER

    HTML Updated Jan 9, 2017

  • amber-recipes

    conda-recipes for some packages (experiment).

    Shell 1 2 Updated Jan 5, 2017

  • repo-notes

    An entry point. Please add a brief note here if you adding a new github repo.

    Updated Dec 21, 2016

  • docker-amber-build-box

    To build docker image

    Shell Updated Dec 13, 2016

  • mdgx

    Alternative MD engine written by David Cerutti

    1 Updated Dec 7, 2016

  • easy_mpi

    Embarrassing parallel for beginner

    Python Updated Nov 17, 2016

  • pymdgx

    Playground for mdgx python interface.

    Python 2 Updated Nov 17, 2016

  • docker_ambertools

    Forked from Lachele/docker_AT
    Shell 2 Updated Oct 26, 2016

  • mdsrv

    Forked from arose/mdsrv

    MD trajectory server (please read README below)

    JavaScript 4 Updated Sep 25, 2016

  • pysander

    Python bindings to sander API

    C 2 2 Updated Aug 10, 2016

  • notebooks

    Some AMBER tutorials written in Jupyter notebook - PR is welcome

    2 Updated May 7, 2016

  • CreateRemdDirs

    Forked from drroe/CreateRemdDirs

    Automatically generate input for running M-REMD simulations (and more) in Amber.

    C++ 2 Updated Oct 8, 2015
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