JOSS: https://github.com/patrickfuchs/buildH

lipids molecular-dynamics-simulation order-parameters python united-atom

Score: 11.332841403116465

Last synced: about 4 hours ago
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Repository metadata:

:computer: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.

• Host: GitHub
• URL: https://github.com/patrickfuchs/buildH
• Owner: patrickfuchs
• License: bsd-3-clause
• Created: 2019-03-06T16:52:57.000Z (over 7 years ago)
• Default Branch: master
• Last Pushed: 2022-12-20T14:24:59.000Z (over 3 years ago)
• Last Synced: 2026-06-10T17:04:54.980Z (12 days ago)
• Topics: lipids, molecular-dynamics-simulation, order-parameters, python, united-atom
• Language: Python
• Homepage: https://buildh.readthedocs.io/
• Size: 27.5 MB
• Stars: 16
• Watchers: 4
• Forks: 7
• Open Issues: 4
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE.txt
  • Code of conduct: CODE_OF_CONDUCT.md
  • Authors: AUTHORS
  • Codemeta: codemeta.json
  • Zenodo: .zenodo.json

CodeMeta metadata:

• @context: https://doi.org/10.5063/schema/codemeta-2.0
• @type: SoftwareSourceCode
• License: https://spdx.org/licenses/BSD-3-Clause
• Code repository: https://github.com/patrickfuchs/buildH
• Cont integration: https://github.com/patrickfuchs/buildH/actions
• Date created: 2019-03-06
• Date published: 2019-06-21
• Date modified: 2021-05-21
• Download url: https://github.com/patrickfuchs/buildH/archive/refs/tags/v1.3.1.zip
• Issue tracker: https://github.com/patrickfuchs/buildH/issues
• Name: buildH
• Version: 1.3.1
• Description: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters
• Application category: Structural bioinformatics
• Development status: active
• Keywords:
  • molecular dynamics simulation
  • order parameters
  • lipids
  • united-atom
• Programming language:
  • Python
• Operating system:
  • Linux
  • Windows
  • MacOSX
• Software requirements:
  • Python>=3.6
  • numpy
  • pandas
  • MDAnalysis
  • numba
• Related link:
  • https://buildh.readthedocs.io/en/latest/
  • https://pypi.org/project/buildh/
  • https://anaconda.org/bioconda/buildh
• Author:
  • • @type: Person
    • @id: http://orcid.org/0000-0001-6149-9480
    • Given name: Hubert
    • Family name: Santuz
    • Email: hubert.santuz@gmail.com
    • Affiliation:
      • @type: Organization
      • Name: Laboratoire de Biochimie Théorique (LBT), CNRS, F-75005 Paris, France
  • • @type: Person
    • @id: http://orcid.org/0000-0002-3317-9110
    • Given name: Amélie
    • Family name: Bâcle
    • Email: amelie.bacle@gmail.com
    • Affiliation:
      • @type: Organization
      • Name: Laboratoire Coopératif "Lipotoxicity and Channelopathies - ConicMeds", Université de Poitiers, F-86000 Poitiers, France
  • • @type: Person
    • @id: http://orcid.org/0000-0003-4177-3619
    • Given name: Pierre
    • Family name: Poulain
    • Email: pierre.poulain@cupnet.net
    • Affiliation:
      • @type: Organization
      • Name: Université de Paris, CNRS, Institut Jacques Monod, F-75006, Paris, France
  • • @type: Person
    • @id: http://orcid.org/0000-0001-7117-994X
    • Given name: Patrick
    • Family name: Fuchs
    • Email: patrick.fuchs@univ-paris-diderot.fr
    • Affiliation:
      • @type: Organization
      • Name: Sorbonne Université, Ecole Normale Supérieure, PSL Research University, CNRS, Laboratoire des Biomolécules (LBM), F-75005 Paris, France

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Owner metadata:

• Name: Patrick Fuchs
• Login: patrickfuchs
• Email:
• Kind: user
• Description: Maître de conférences à Université Paris Cité
• Website: https://www.dsimb.inserm.fr/~fuchs/
• Location: Paris
• Twitter:
• Company: Université Paris Cité
• Icon url: https://avatars.githubusercontent.com/u/13885052?u=8399abfeff0ed06efc4f06c9e6a1b9315c62206c&v=4
• Repositories: 2
• Last Synced at: 2023-03-03T15:11:51.428Z
• Profile URL: https://github.com/patrickfuchs

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GitHub Events

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• Total: 0

Last Year

• Total: 0

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Committers metadata

Last synced: 2 days ago

Name	Email	Commits
patrickfuchs	p****s@u****r	189
Hubert	h****z@g****m	130
patrickfuchs	p****s@u****t	115
Pierre Poulain	p****n@c****t	85
ABacle	a****e@g****m	10
readthedocs-assistant	9****t	1

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Issue and Pull Request metadata

Last synced: 6 days ago

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/patrickfuchs/buildH

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Package metadata

• Total packages: 1
• Total downloads:
  • pypi: 692 last-month
• Total dependent packages: 0
• Total dependent repositories: 1
• Total versions: 7
• Total maintainers: 3

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Dependencies