OpenBioSim | BioSimSpace

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BioSimSpace is an interoperable Python framework for biomolecular simulation. With it you can:

  • Write robust and portable biomolecular workflow components that work on different hardware, with different software packages, and that can be run in different ways, e.g. command-line, Jupyter.

  • Start, stop, and monitor molecular simulation processes within interactive Python environments.

BioSimSpace is distributed and supported as an open source community project by OpenBioSim.

Citation DOI for Citing BioSimSpace

If you use BioSimSpace in any scientific software, please cite the following paper:

@article{Hedges2019,
  doi = {10.21105/joss.01831},
  url = {https://doi.org/10.21105/joss.01831},
  year = {2019},
  publisher = {The Open Journal},
  volume = {4},
  number = {43},
  pages = {1831},
  author = {Lester Hedges and Antonia Mey and Charles Laughton and Francesco Gervasio and Adrian Mulholland and Christopher Woods and Julien Michel},
  title = {BioSimSpace: An interoperable Python framework for biomolecular simulation},
  journal = {Journal of Open Source Software}
}

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