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gg

https://github.com/kkjsawantucla/gg

Science Score: 57.0%

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

  • ✓
    CITATION.cff file
    Found CITATION.cff file
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    codemeta.json file
    Found codemeta.json file
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    .zenodo.json file
    Found .zenodo.json file
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    DOI references
    Found 1 DOI reference(s) in README
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    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 (10.1%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

Basic Info
  • Host: GitHub
  • Owner: kkjsawantucla
  • License: other
  • Language: Python
  • Default Branch: main
  • Size: 7.9 MB
Statistics
  • Stars: 5
  • Watchers: 1
  • Forks: 1
  • Open Issues: 0
  • Releases: 0
Created almost 2 years ago · Last pushed 6 months ago
Metadata Files
Readme License Citation

README.md

g(raph) - g(cbh)

gg is an open-source code for building graph-based grand canonical basin hopping calculator

Documentation Status License: GPL v2

PLEASE NOTE: The code is currently under active development and is still in beta versions 0.x.x

Requirements

Installation

Clone Directory ~~~bash git clone https://github.com/kkjsawantucla/gg.git ~~~

Install using pip ~~~bash cd gg/ pip install . ~~~

Alternatively, you can add ./gg to your $PYTHONPATH. (not recommended) ~~~bash export PYTHONPATH=$PYTHONPATH:"" ~~~

Usage

For usage check https://graph-gcbh.readthedocs.io/en/latest/index.html

Cite

K. J. Sawant, P. Sautet, 2025, DOI 10.26434/chemrxiv-2025-t71bx

Owner

  • Login: kkjsawantucla
  • Kind: user

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
  - family-names: Sawant
    given-names: Kaustubh
    orcid: https://orcid.org/0000-0002-9599-3126
title: "Graph Grand Canonical Basin Hopping"
version: 0.0.1
identifiers:
  - type: doi
    value: 
date-released: 2025-05-01

GitHub Events

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Last Year
  • Watch event: 2
  • Delete event: 2
  • Push event: 164
  • Pull request event: 7
  • Fork event: 1
  • Create event: 5