https://github.com/barbagroup/bempp_exafmm_paper

Manuscript repository for our research paper, including reproducibility packages for all results, and latex source files.

https://github.com/barbagroup/bempp_exafmm_paper

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
  • DOI references
    Found 10 DOI reference(s) in README
  • Academic publication links
    Links to: arxiv.org, zenodo.org
  • Academic email domains
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (10.2%) to scientific vocabulary

Keywords

bem biophysics electrostatics fmm
Last synced: 5 months ago · JSON representation

Repository

Manuscript repository for our research paper, including reproducibility packages for all results, and latex source files.

Basic Info
  • Host: GitHub
  • Owner: barbagroup
  • Language: Jupyter Notebook
  • Default Branch: master
  • Homepage:
  • Size: 15.4 MB
Statistics
  • Stars: 6
  • Watchers: 5
  • Forks: 2
  • Open Issues: 15
  • Releases: 1
Topics
bem biophysics electrostatics fmm
Created over 5 years ago · Last pushed over 2 years ago
Metadata Files
Readme

README.md

High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm

Tingyu Wang, Christopher D. Cooper, Timo Betcke, Lorena A. Barba

Manuscript repository, including all source files for the text and reproducibility packages for all figures.

Preprint on arxiv:2103.01048

  • Submitted: 20 March 2021; first revision request: 26 April 2021 (4 peer-review reports provided)
    • submitted version is tagged release v2.0
  • Revision submitted: 26 May 2021; request for information from the editors: 8 July 2021.
    • resubmission version is tagged release v2.1
  • Reply to the editor first sent on 12 July.
    • 31 July: EiC writes that after discussion with the editorial team, they would like to send our replies to Reviewers 1 and 3, and requests these in PDF. Responses in HackMD for Reviewer 1 and Reviewer 3. Sent to editor 2 August.
  • New review comments provided 21 September, with request to respond. See issue #15 for editorial letter. Issues 16,17,18 address reviewer comments.
  • Email to EiC on Oct. 15, 2021: see comment on issue #15.
  • Revision submitted Dec. 7, 2021
  • First rejection decision: February 15, 2022 (see issue #19)
  • Appeal, with new evidence, rebuttal and revision: Sep 5, 2022
  • Second rejection decision: December 5, 2022

Reproducibility package archives

See the README in the repro-pack folder for instructions.

  • Wang, Tingyu, Cooper, Christopher D., Betcke, Timo, Barba, Lorena A., High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (manuscript and repro-pack), (2021). DOI

  • Wang, Tingyu, Cooper, Christopher D., Betcke, Timo, Barba, Lorena A., High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (meshes and pqr files), (2021). DOI

Software

  • Exafmm-t (BSD 3-Clause License)
    • Documentation
    • Citation: Wang et al., (2021). ExaFMM: a high-performance fast multipole method library with C++ and Python interfaces. Journal of Open Source Software, 6(61), 3145, https://doi.org/10.21105/joss.03145
  • Bempp-cl (MIT License)
    • Installing Bempp
    • Citation: Betcke et al., (2021). Bempp-cl: A fast Python based just-in-time compiling boundary element library.. Journal of Open Source Software, 6(59), 2879, https://doi.org/10.21105/joss.02879

LICENSE

Not all content in this repository is open source. The Python code for creating the figures is shared under a BSD3 License. The written content in any Jupyter Notebooks is shared under a Creative Commons Attribution (CC-BY) license. But please note that the manuscript text is not open source; we reserve rights to the article content, which will be submitted for publication in a journal. Only fair use applies in this case.

Owner

  • Name: Barba group
  • Login: barbagroup
  • Kind: organization
  • Location: Washington, DC

GitHub Events

Total
Last Year

Issues and Pull Requests

Last synced: over 1 year ago

All Time
  • Total issues: 23
  • Total pull requests: 1
  • Average time to close issues: about 1 month
  • Average time to close pull requests: less than a minute
  • Total issue authors: 1
  • Total pull request authors: 1
  • Average comments per issue: 3.78
  • Average comments per pull request: 0.0
  • Merged pull requests: 1
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • labarba (21)
Pull Request Authors
  • tingyu66 (1)
Top Labels
Issue Labels
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Dependencies

repro-pack/setup.py pypi