OpenBioSim | BioSimSpace¶

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.

We are currently conducting a survey to help ups understand how BioSimSpace is being used and how we can improve it. The survey explores your molecular simulation tools and practices, identifies workflow challenges, and gathers feedback on the BioSimSpace simulation framework to guide its future development. If you have a few minutes, please fill it out!

Citation ¶

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}
}