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Popular repositories

  1. gromacs-slurm-openmpi-vagrant

    An example 2-node cluster with a slurm controller for running gromacs

    Shell 4

  2. jobengine

    Manage MD simulations across multiple computing clusters

    Python 1 1

  3. autodock-vina

    Protein-ligand docking code autodock vina from vina.scripps.edu

    C++ 1 1

  4. PlumedWrapper

    Read plumed2 http://www.plumed.org COLVAR files as pandas DataFrames https://pandas.pydata.org

    Python 1

  5. duolingo_automation

    Forked from xerebz/duolingo_automation

    A Selenium-based project that automates signing in and translating basic Duolingo tasks.

    Python 1

  6. rdkit

    Forked from rdkit/rdkit

    The official sources for the RDKit library

    C++

60 contributions in the last year

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Contribution activity

September 2018

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