coordcomplexsampling
Science Score: 52.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
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○Academic publication links
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○Academic email domains
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✓Institutional organization owner
Organization lanl has institutional domain (www.lanl.gov) -
○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (1.0%) to scientific vocabulary
Last synced: 6 months ago
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JSON representation
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Repository
Basic Info
- Host: GitHub
- Owner: lanl
- License: mit
- Language: Jupyter Notebook
- Default Branch: main
- Size: 23.5 MB
Statistics
- Stars: 1
- Watchers: 2
- Forks: 0
- Open Issues: 0
- Releases: 0
Created 12 months ago
· Last pushed 7 months ago
Metadata Files
Readme
License
Citation
README.md
coordcomplexsampling
O4730
Routines for sampling coordination complex chemistry.
Subfolders:
ligandsmetalcurate
Scripts for getting reasonable metals and ligands for high-throughput generation works.
tspathedit
Scripts for enumerating and swapping metals/ligands from coordination complex reaction templates.
Owner
- Name: Los Alamos National Laboratory
- Login: lanl
- Kind: organization
- Email: github-register@lanl.gov
- Location: Los Alamos, New Mexico, USA
- Website: https://www.lanl.gov/
- Repositories: 224
- Profile: https://github.com/lanl
Citation (CITATION.cff)
cff-version: 1.0.0
message: "If you use this software, please cite it using the following metadata."
title: "coordcomplexsampling"
version: "1.0.0"
date-released: 2025-04-04
authors:
- family-names: Gilbert Taylor
given-names: Michael
orcid: "https://orcid.org/0000-0003-4327-2746"
repository-code: "https://github.com/lanl/coordcomplexsampling"
license: "MIT"
keywords:
- chemistry
- metal complexes
- reaction chemistry
GitHub Events
Total
- Member event: 1
- Push event: 7
- Create event: 2
Last Year
- Member event: 1
- Push event: 7
- Create event: 2