BioSimSpace: An interoperable Python framework for biomolecular simulation

Python Jupyter Notebook Submitted 21 October 2019Accepted 22 November 2019
Review

Editor: @will-rowe (all papers)
Reviewers: @amritagos (all reviews), @richardjgowers (all reviews)

Authors

Lester Hedges (0000-0002-5624-0500), Antonia Mey (0000-0001-7512-5252), Charles Laughton (0000-0003-4090-3960), Francesco Gervasio (0000-0003-4831-5039), Adrian Mulholland (0000-0003-1015-4567), Christopher 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

Tags

biomolecular-simulation computational-chemistry computational-physics computational-biology interoperability molecular dynamics reproducibility

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ISSN 2475-9066