https://github.com/egonw/cdkbook

Groovy Cheminformatics with the Chemistry Development Kit
https://github.com/egonw/cdkbook

cheminformatics chemistry chemistry-development-kit groovy java

Last synced: about 2 months ago
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Groovy Cheminformatics with the Chemistry Development Kit

• Host: GitHub
• URL: https://github.com/egonw/cdkbook
• Owner: egonw
• License: cc-by-sa-4.0
• Created: 2018-12-24T15:50:11.000Z (about 6 years ago)
• Default Branch: source
• Last Pushed: 2024-08-06T06:19:11.000Z (5 months ago)
• Last Synced: 2024-10-14T02:28:30.119Z (2 months ago)
• Topics: cheminformatics, chemistry, chemistry-development-kit, groovy, java
• Language: Groovy
• Homepage: https://egonw.github.io/cdkbook/
• Size: 11.4 MB
• Stars: 40
• Watchers: 5
• Forks: 11
• Open Issues: 4
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.gplv3.md

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README

        
[![DOI](https://zenodo.org/badge/163004968.svg)](https://zenodo.org/badge/latestdoi/163004968)

# Groovy Cheminformatics with the Chemistry Development Kit

[Edition 2.9-2](https://egonw.github.io/cdkbook/)

**Egon L. Willighagen** PhD


Long time CDK developer

© E.L. Willighagen 2011-2024

License: CC-BY-SA 4.0 International

## Dependencies

* Groovy

* nodejs and npm

* citation-js (see doi:[10.7717/peerj-cs.214](https://doi.org/10.7717/peerj-cs.214))

* [CDK](https://cdk.github.io/) (see doi:[10.1186/S13321-017-0220-4](https://doi.org/10.1186/S13321-017-0220-4))

## About

Further information: [https://chem-bla-ics.linkedchemistry.info/](https://chem-bla-ics.linkedchemistry.info/)

E.L. Willighagen <[email protected]>