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https://github.com/digital-chemistry-laboratory/coulson

Python code for Hückel and Pariser-Parr-Pople molecular orbital theory

https://github.com/digital-chemistry-laboratory/coulson

Science Score: 26.0%

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
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
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    Academic email domains
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    Institutional organization owner
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    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (0.6%) to scientific vocabulary
Last synced: 4 months ago · JSON representation

Repository

Python code for Hückel and Pariser-Parr-Pople molecular orbital theory

Basic Info
  • Host: GitHub
  • Owner: digital-chemistry-laboratory
  • License: mit
  • Language: Python
  • Default Branch: main
  • Size: 283 KB
Statistics
  • Stars: 15
  • Watchers: 2
  • Forks: 5
  • Open Issues: 0
  • Releases: 0
Created over 4 years ago · Last pushed over 2 years ago
Metadata Files
Readme License

README.md

Coulson

Program for Hückel molecular orbital theory and aromaticity

Owner

  • Name: Digital Chemistry Laboratory
  • Login: digital-chemistry-laboratory
  • Kind: organization
  • Location: Switzerland

The Digital Chemistry Laboratory at ETH Zurich

GitHub Events

Total
  • Watch event: 1
Last Year
  • Watch event: 1

Dependencies

.github/workflows/lint.yml actions
  • actions/checkout v3 composite
  • mamba-org/provision-with-micromamba main composite
.github/workflows/test.yml actions
  • actions/checkout v3 composite
  • mamba-org/provision-with-micromamba main composite
setup.py pypi
  • numpy *
environment.yml pypi
pyproject.toml pypi