Name: MDAnalysis-with-Dask
Owner: Becksteinlab
Description: Benchmarking MDAnalysis with dask.
Created: 2017-05-26 15:07:57.0
Updated: 2017-12-11 17:59:49.0
Pushed: 2017-09-01 01:20:00.0
Homepage:
Size: 1202
Language: Python
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README
MDAnalysis with Dask
Code to benchmark parallelization of
MDAnalysis with
Dask [1, 2, 3]
References
- M. Khoshlessan and O. Beckstein. Parallel analysis in the
MDAnalysis library: Benchmark of trajectory file formats. Technical
report, Arizona State University, Tempe, AZ, 2017. figshare. doi:
10.6084/m9.figshare.4695742
- M. Khoshlessan, I. Paraskevakos, S. Jha, and
O. Beckstein. Parallel analysis in MDAnalysis using the Dask
parallel computing library. In S. Benthall and S. Rostrup, editors,
Proceedings of the 16th Python in Science Conference, Austin,
TX, 2017. SciPy.
PR scipy-conference/scipy_proceedings#290
- I. Paraskevakos et al, Parallel Analysis of Molecular Dynamics Trajectory. In preparation.
