Groovy Cheminformatics with the Chemistry Development Kit

Edition 2.9-2

Egon L. Willighagen PhD
Long time CDK developer

License: CC-BY-SA 4.0 International

Dependencies

Groovy
nodejs and npm
citation-js (see doi:10.7717/peerj-cs.214)
CDK (see doi:10.1186/S13321-017-0220-4)

About

Further information: https://chem-bla-ics.linkedchemistry.info/

E.L. Willighagen 0000-0001-7542-0286@orcid.org

Name		Name	Last commit message	Last commit date
Latest commit History 262 Commits
code		code
images		images
.gitignore		.gitignore
LICENSE.gplv3.md		LICENSE.gplv3.md
LICENSE.md		LICENSE.md
Makefile		Makefile
README.md		README.md
appatomtypes.i.md		appatomtypes.i.md
appfileformats.i.md		appfileformats.i.md
appisotopes.i.md		appisotopes.i.md
appmoldescs.i.md		appmoldescs.i.md
atomsbonds.i.md		atomsbonds.i.md
atomtype.i.md		atomtype.i.md
builders.i.md		builders.i.md
cheminfo.i.md		cheminfo.i.md
chemobject.i.md		chemobject.i.md
classinfo.tsv		classinfo.tsv
createMarkdown.groovy		createMarkdown.groovy
ctr.i.md		ctr.i.md
depiction.i.md		depiction.i.md
descriptor.i.md		descriptor.i.md
findCitations.groovy		findCitations.groovy
findClasses.groovy		findClasses.groovy
findFigures.groovy		findFigures.groovy
findScripts.groovy		findScripts.groovy
findSections.groovy		findSections.groovy
findTopics.groovy		findTopics.groovy
foo.sh		foo.sh
graph.i.md		graph.i.md
inchi.i.md		inchi.i.md
index.i.md		index.i.md
introduction.i.md		introduction.i.md
io.i.md		io.i.md
makeIndex.groovy		makeIndex.groovy
makeToC.groovy		makeToC.groovy
migration.i.md		migration.i.md
missing.i.md		missing.i.md
numberScripts.groovy		numberScripts.groovy
order.txt		order.txt
properties.i.md		properties.i.md
protein.i.md		protein.i.md
reaction.i.md		reaction.i.md
references.extra.dat		references.extra.dat
references.js		references.js
salts.i.md		salts.i.md
sitemap.xml		sitemap.xml
stereo.i.md		stereo.i.md
substructure.i.md		substructure.i.md
unpairedelectrons.i.md		unpairedelectrons.i.md
updateClassInfo.groovy		updateClassInfo.groovy
wrap.groovy		wrap.groovy
writingApps.i.md		writingApps.i.md

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Groovy Cheminformatics with the Chemistry Development Kit

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Groovy Cheminformatics with the Chemistry Development Kit

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