BioSimSpace: An interoperable Python framework for biomolecular simulation

Python Jupyter Notebook Submitted 21 October 2019 • Published 22 November 2019
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Editor: @will-rowe (all papers)
Reviewers: @amritagos (all reviews), @richardjgowers (all reviews)

Authors

Lester O. Hedges (0000-0002-5624-0500), Antonia S.j.s. Mey (0000-0001-7512-5252), Charles A. Laughton (0000-0003-4090-3960), Francesco L. Gervasio (0000-0003-4831-5039), Adrian J. Mulholland (0000-0003-1015-4567), Christopher J. Woods (0000-0001-6563-9903), Julien Michel (0000-0003-0360-1760)

Citation

Hedges et al., (2019). BioSimSpace: An interoperable Python framework for biomolecular simulation. Journal of Open Source Software, 4(43), 1831, https://doi.org/10.21105/joss.01831

@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 O. Hedges and Antonia S.j.s. Mey and Charles A. Laughton and Francesco L. Gervasio and Adrian J. Mulholland and Christopher J. Woods and Julien Michel}, title = {BioSimSpace: An interoperable Python framework for biomolecular simulation}, journal = {Journal of Open Source Software} }
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biomolecular-simulation computational-chemistry computational-physics computational-biology interoperability molecular dynamics reproducibility

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This work is licensed under a Creative Commons Attribution 4.0 International License.

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Journal of Open Source Software is an affiliate of the Open Source Initiative.

Journal of Open Source Software is part of Open Journals, which is a NumFOCUS-sponsored project.

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ISSN 2475-9066