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Correction: StreaMD: the toolkit for high-throughput molecular dynamics simulations

Journal of Cheminformatics volume 16, Article number: 144 (2024) Cite this article

The Original Article was published on 05 November 2024


Correction: Journal of Cheminformatics (2024) 16:123 https://doiorg.publicaciones.saludcastillayleon.es/10.1186/s13321-024-00918-w


Following publication of the original article [1], the authors identified that section Availability and requirements is missing.


Availability and requirements

Project name: StreaMD

GitHub: https://github.com/ci-lab-cz/streamd

Operating system(s): Linux

Programming language: Python 3

Other requirements: GROMACS, RDKit, ProLIF, Antechamber, MDAnalysis, Dask, Gaussian (optional, a license is required)

License: MIT

Any restrictions to use by non-academics: no

The original article has been corrected.

Reference

  1. Ivanova A, Mokshyna O, Polishchuk P (2024) StreaMD: the toolkit for high-throughput molecular dynamics simulations. J Cheminform 16:123. https://doiorg.publicaciones.saludcastillayleon.es/10.1186/s13321-024-00918-w

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Author information

Authors and Affiliations

  1. Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University, Hnevotinska 5, 77900, Olomouc, Czech Republic

    Aleksandra Ivanova, Olena Mokshyna & Pavel Polishchuk

  2. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo náměstí 542/2, 160 00, Prague 6, Czech Republic

    Olena Mokshyna

Authors
  1. Aleksandra Ivanova
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  2. Olena Mokshyna
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  3. Pavel Polishchuk
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Corresponding author

Correspondence to Pavel Polishchuk.

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Ivanova, A., Mokshyna, O. & Polishchuk, P. Correction: StreaMD: the toolkit for high-throughput molecular dynamics simulations. J Cheminform 16, 144 (2024). https://doiorg.publicaciones.saludcastillayleon.es/10.1186/s13321-024-00942-w

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  • DOI: https://doiorg.publicaciones.saludcastillayleon.es/10.1186/s13321-024-00942-w

Journal of Cheminformatics

ISSN: 1758-2946

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