{"id":19339529,"url":"https://github.com/becksteinlab/mdanalysis-with-dask","last_synced_at":"2025-07-18T16:38:38.140Z","repository":{"id":112683643,"uuid":"92522315","full_name":"Becksteinlab/MDAnalysis-with-Dask","owner":"Becksteinlab","description":"Benchmarking MDAnalysis with dask.","archived":false,"fork":false,"pushed_at":"2017-09-01T01:20:00.000Z","size":1202,"stargazers_count":5,"open_issues_count":0,"forks_count":1,"subscribers_count":5,"default_branch":"master","last_synced_at":"2025-04-23T02:36:55.810Z","etag":null,"topics":["dask","hpc","mdanalysis","molecular-dynamics-simulation","mpi","python","spidal"],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/Becksteinlab.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2017-05-26T15:07:57.000Z","updated_at":"2023-03-12T14:13:33.000Z","dependencies_parsed_at":null,"dependency_job_id":"97316325-6503-41b7-bd58-46ba04f9ff8d","html_url":"https://github.com/Becksteinlab/MDAnalysis-with-Dask","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/Becksteinlab/MDAnalysis-with-Dask","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-with-Dask","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-with-Dask/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-with-Dask/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-with-Dask/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Becksteinlab","download_url":"https://codeload.github.com/Becksteinlab/MDAnalysis-with-Dask/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FMDAnalysis-with-Dask/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":265793684,"owners_count":23829180,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["dask","hpc","mdanalysis","molecular-dynamics-simulation","mpi","python","spidal"],"created_at":"2024-11-10T03:22:42.766Z","updated_at":"2025-07-18T16:38:38.116Z","avatar_url":"https://github.com/Becksteinlab.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# MDAnalysis with Dask #\n\nCode to benchmark parallelization of\n[MDAnalysis](http://mdanalysis.org) with\n[Dask](http://dask.pydata.org/) [1, 2, 3] \n\n\n## References ##\n\n1. M. Khoshlessan and O. Beckstein. Parallel analysis in the\n   MDAnalysis library: Benchmark of trajectory file formats. Technical\n   report, Arizona State University, Tempe, AZ, 2017. figshare. doi:\n   [10.6084/m9.figshare.4695742](https://doi.org/10.6084/m9.figshare.4695742)\n2. M. Khoshlessan, I. Paraskevakos, S. Jha, and\n   O. Beckstein. Parallel analysis in MDAnalysis using the Dask\n   parallel computing library. In S. Benthall and S. Rostrup, editors,\n   Proceedings of the 16th Python in Science Conference, Austin,\n   TX, 2017. SciPy. \n   [PR scipy-conference/scipy_proceedings#290](https://github.com/scipy-conference/scipy_proceedings/pull/290)\n3. I. Paraskevakos et al, [Parallel Analysis of Molecular Dynamics Trajectory](https://github.com/radical-papers/midas-paper/tree/master/2016-eScience). In preparation.\n\n   \n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fmdanalysis-with-dask","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fbecksteinlab%2Fmdanalysis-with-dask","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fmdanalysis-with-dask/lists"}