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MolSSI / mmelemental

Python implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.
https://molssi.github.io/mmelemental
BSD 3-Clause "New" or "Revised" License
10 stars 3 forks source link
interoperability mmschema molecular-dynamics molecular-mechanics python standards

readme

MMElemental

CI codecov Language grade: Python docs

A python package which provides data models for Molecular Mechanics based on the MMSchema specification.

Copyright

Copyright (c) 2021, MolSSI

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.5.