samarjeet / pyparam

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pyparam

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A python-based force-field parameterization and optimization tool.

Initial Parameterization for CHARMM.

Copyright

Copyright (c) 2018, LoBos/NHLBI

Acknowledgements

Project directory structure based on the format Computational Molecular Science Python Cookiecutter

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License:MIT License


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Language:Python 98.2%Language:Shell 1.7%Language:Batchfile 0.1%