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Authors
Hendrik Jung (0000-0002-2159-0391), Gerhard Hummer (0000-0001-7768-746X)
Citation
Jung et al., (2025). asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems. Journal of Open Source Software, 10(112), 8321, https://doi.org/10.21105/joss.08321
@article{Jung2025,
doi = {10.21105/joss.08321},
url = {https://doi.org/10.21105/joss.08321},
year = {2025},
publisher = {The Open Journal},
volume = {10},
number = {112},
pages = {8321},
author = {Jung, Hendrik and Hummer, Gerhard},
title = {asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems},
journal = {Journal of Open Source Software}
}
Tags
python molecular dynamics molecular dynamics simulation enhanced sampling gromacs high performance computing hpc slurm biophysics chemistry
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