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Open Source Science

https://github.com/anselmoo/cclib

Parsers and algorithms for computational chemistry logfiles

https://github.com/anselmoo/cclib

Science Score: 23.0%

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

  • ○
    CITATION.cff file
  • ○
    codemeta.json file
  • ○
    .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 (7.8%) to scientific vocabulary
Last synced: 10 months ago · JSON representation

Repository

Parsers and algorithms for computational chemistry logfiles

Basic Info
  • Host: GitHub
  • Owner: Anselmoo
  • License: bsd-3-clause
  • Language: Python
  • Default Branch: master
  • Homepage: https://cclib.github.io/
  • Size: 47.5 MB
Statistics
  • Stars: 0
  • Watchers: 1
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Fork of cclib/cclib
Created over 2 years ago · Last pushed over 2 years ago

https://github.com/Anselmoo/cclib/blob/master/ 

### cclib

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8280878.svg)](https://doi.org/10.5281/zenodo.8280878)
[![PyPI version](http://img.shields.io/pypi/v/cclib.svg?style=flat)](https://pypi.python.org/pypi/cclib)
[![GitHub release](https://img.shields.io/github/release/cclib/cclib.svg?style=flat)](https://github.com/cclib/cclib/releases)
[![build status](https://github.com/cclib/cclib/actions/workflows/cclib_pytest.yml/badge.svg?branch=master)](https://github.com/cclib/cclib/actions/workflows/cclib_pytest.yml)
[![license](http://img.shields.io/badge/license-BSD-blue.svg?style=flat)](https://github.com/cclib/cclib/blob/master/LICENSE)

cclib logo

cclib is a Python library that provides parsers for output files of computational chemistry packages. It also provides a platform for computational chemists to implement algorithms in a platform-independent way.

For more information, go to [https://cclib.github.io](https://cclib.github.io). There is a mailing list for questions at https://groups.google.com/g/cclib.

Owner

  • Name: Anselm Hahn
  • Login: Anselmoo
  • Kind: user
  • Location: Switzerland

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