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Popular repositories Loading

  1. G-BigSMILES G-BigSMILES Public

    Generator of SMILES string from bigSMILES with extension

    Jupyter Notebook 16 2

  2. cript_graph cript_graph Public

    Plugin for the CRIPT Python SDK to convert the data graphs to Networkx and Graphiz Dot.

    Shell 3

  3. workflow-tutorial workflow-tutorial Public

    Tutorial repo, that helps to setup github workflows.

    Jupyter Notebook 1

  4. hoomd-blue hoomd-blue Public

    Forked from glotzerlab/hoomd-blue

    HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.

    C++

  5. mdtraj mdtraj Public

    Forked from mdtraj/mdtraj

    An open library for the analysis of molecular dynamics trajectories

    C

  6. PySAGES PySAGES Public

    Forked from SSAGESLabs/PySAGES

    Python Suite for Advanced General Ensemble Simulations

    Python