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alchemiscale-fah

protocols and compute service for using alchemiscale with Folding@Home

https://github.com/openfreeenergy/alchemiscale-fah

Science Score: 67.0%

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

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ✓
    DOI references
    Found 3 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: zenodo.org
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (5.1%) to scientific vocabulary

Keywords

alchemistry distributed-computing drug-discovery
Last synced: 4 months ago · JSON representation ·

Repository

protocols and compute service for using alchemiscale with Folding@Home

Basic Info
Statistics
  • Stars: 2
  • Watchers: 4
  • Forks: 0
  • Open Issues: 8
  • Releases: 5
Topics
alchemistry distributed-computing drug-discovery
Created over 2 years ago · Last pushed 5 months ago
Metadata Files
Readme License Citation

README.md

alchemiscale-fah

build coverage Documentation Status SPEC 0 — Minimum Supported Dependencies DOI

Deployable service(s) for using Folding@Home via alchemiscale.

Owner

  • Name: Open Free Energy
  • Login: OpenFreeEnergy
  • Kind: organization

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Dotson"
  given-names: "David L."
  orcid: "https://orcid.org/0000-0001-5879-2942"
- family-names: "MacDermott-Opeskin"
  given-names: "Hugo"
  orcid: "https://orcid.org/0000-0002-7393-7457"
- family-names: "Kenney"
  given-names: "Ian M."
  orcid: "https://orcid.org/0000-0002-9749-8866"
- family-names: "Alibay"
  given-names: "Irfan"
  orcid: "https://orcid.org/0000-0001-5787-9130"
- family-names: "Gowers"
  given-names: "Richard J."
  orcid: "https://orcid.org/0000-0002-3241-1846"
- family-names: "Swenson"
  given-names: "David W.H."
  orcid: "https://orcid.org/0000-0001-9922-7923"
- family-names: "Pulido"
  given-names: "Iván J."
  orcid: "https://orcid.org/0000-0002-7178-8136"
- family-names: "Henry"
  given-names: "Michael M."
  orcid: "https://orcid.org/0000-0002-3870-9993"
- family-names: "Horton"
  given-names: "Joshua T."
  orcid: "https://orcid.org/0000-0001-8694-7200"
- family-names: "Scheen"
  given-names: "Jenke"
  orcid: "https://orcid.org/0000-0001-9781-0445"
- family-names: "Wagner"
  given-names: "Jeffrey"
  orcid: "https://orcid.org/0000-0001-6448-0873"
- family-names: "Chodera"
  given-names: "John D."
  orcid: "https://orcid.org/0000-0003-0542-119X"

title: "alchemiscale-fah"
version: 0.2.0
date-released: 2025-03-03
url: "https://docs.fah.alchemiscale.org/"
repository-code: "https://github.com/OpenFreeEnergy/alchemiscale-fah"
doi: "10.5281/zenodo.14962946"

GitHub Events

Total
  • Create event: 21
  • Release event: 5
  • Issues event: 14
  • Delete event: 15
  • Issue comment event: 11
  • Push event: 48
  • Pull request review event: 14
  • Pull request review comment event: 16
  • Pull request event: 35
Last Year
  • Create event: 21
  • Release event: 5
  • Issues event: 14
  • Delete event: 15
  • Issue comment event: 11
  • Push event: 48
  • Pull request review event: 14
  • Pull request review comment event: 16
  • Pull request event: 35

Issues and Pull Requests

Last synced: 4 months ago

All Time
  • Total issues: 19
  • Total pull requests: 25
  • Average time to close issues: 7 months
  • Average time to close pull requests: about 1 month
  • Total issue authors: 1
  • Total pull request authors: 1
  • Average comments per issue: 2.16
  • Average comments per pull request: 0.68
  • Merged pull requests: 16
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 8
  • Pull requests: 21
  • Average time to close issues: about 2 months
  • Average time to close pull requests: 16 days
  • Issue authors: 1
  • Pull request authors: 1
  • Average comments per issue: 0.38
  • Average comments per pull request: 0.24
  • Merged pull requests: 12
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • dotsdl (14)
Pull Request Authors
  • dotsdl (26)
Top Labels
Issue Labels
documentation (1)
Pull Request Labels

Dependencies

pyproject.toml pypi