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    "info": {
        "author": "Jinzhe Zeng",
        "author_email": "jzzeng@stu.ecnu.edu.cn",
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            "Natural Language :: English",
            "Operating System :: Microsoft :: Windows",
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        "description": "# kconMD (k-Bags Convolutional Neural Network Molecular Dynamics)\n\n[![python version](https://img.shields.io/pypi/pyversions/kconmd.svg?logo=python&logoColor=white)](https://pypi.org/project/kconmd)\n[![PyPI](https://img.shields.io/pypi/v/kconmd.svg)](https://pypi.org/project/kconmd)\n[![Build Status](https://travis-ci.com/njzjz/kconmd.svg?branch=master)](https://travis-ci.com/njzjz/kconmd)\n[![Coverage Status](https://coveralls.io/repos/github/njzjz/kconmd/badge.svg?branch=master)](https://coveralls.io/github/njzjz/kconmd?branch=master)\n[![codecov](https://codecov.io/gh/njzjz/kconmd/branch/master/graph/badge.svg)](https://codecov.io/gh/njzjz/kconmd)\n\nMolecular Dynamics (MD) simulations supported by [k-Bags Convolutional Neural Network (kCON)](https://github.com/njzjz/kcon).\n\n**Author**: Jinzhe Zeng\n\nEmail: jzzeng@stu.ecnu.edu.cn\n\n[![Research Group](https://img.shields.io/website-up-down-green-red/http/computchem.cn.svg?label=Research%20Group)](http://computechem.cn)\n\n## Acknowledgement\n\nMany thanks to [Xin Chen](https://github.com/Bismarrck) for his help and development of [kCON](https://github.com/Bismarrck/kcon).\n\n## Requirements\n\n* [numpy](https://github.com/numpy/numpy)\n* [scipy](https://github.com/scipy/scipy)\n* [matplotlib](https://github.com/matplotlib/matplotlib)\n* [scikit-learn](https://github.com/scikit-learn/scikit-learn)\n* [ASE](https://wiki.fysik.dtu.dk/ase/)\n* [TensorFlow](https://github.com/tensorflow/tensorflow)\n\n## Installation\n\n### With pip\n\n```sh\npip install kconmd\n```\n\n### Build from source\n\n```sh\n$ git clone https://github.com/njzjz/kconmd\n$ cd kconmd/\n$ pip install .\n```\n\n## Examples\n\n### Simple example\n\nSee [examples/example.py](examples/example.py).\n\n### Client\u2013server model\n\nSee [examples/server.py](examples/server.py) and [examples/client.py](examples/client.py).\n\n### Run MD with LAMMPS\n\nSee [njzjz/Pyforce](https://github.com/njzjz/Pyforce) repository and install Pyforce module. Then rename [examples/client.py](examples/client.py) as `force.py` and put it where you run LAMMPS. Add a line in the LAMMPS input file:\n```\nfix 1 all pyforce C H O\n```",
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