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jchempaint

Chemical 2D structure editor application/applet based on the Chemistry Development Kit

https://github.com/jchempaint/jchempaint

Science Score: 44.0%

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

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Committers with academic emails
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (7.3%) to scientific vocabulary

Keywords

blueobelisk chemistry java

Keywords from Contributors

bioinformatics cheminformatics code4lib interactive packaging network-simulation hacking autograding embedded optim
Last synced: 4 months ago · JSON representation ·

Repository

Chemical 2D structure editor application/applet based on the Chemistry Development Kit

Basic Info
Statistics
  • Stars: 129
  • Watchers: 20
  • Forks: 42
  • Open Issues: 110
  • Releases: 1
Topics
blueobelisk chemistry java
Created over 13 years ago · Last pushed 4 months ago
Metadata Files
Readme Changelog Citation

README.md

build

JChemPaint

JChemPaint (or JCP for short here) is the editor and viewer for 2D chemical structures developed using [CDK](https://cdk.github.io/]. It is implemented in several forms: a Java application and two varieties of Java applet.

Please see the documentation at https://github.com/JChemPaint/jchempaint/wiki for more information.

The issue tracker here (on top of this page) is for specific JCP-related bugs. For problems in CDK proper, please use https://github.com/JChemPaint/jchempaint/issues

Build requirements (need installation) - gettext : http://www.gnu.org/software/gettext/ - app-bundler: https://github.com/federkasten/appbundler-plugin (optional)

Build with the following commands

mvn install -DskipTests mvn install -DskipTests -Posx-app mvn install -DskipTests -Pwindows-app

The second and third option are to build an OS X application bundle (.app), and to build a windows executable (.exe).

Owner

  • Name: JChemPaint
  • Login: JChemPaint
  • Kind: organization

Citation (CITATION.cff) 

cff-version: 1.2.0
message: Please cite the following works when using this software.
type: software
authors:
  - family-names: Krause
    given-names: Stefan
  - family-names: Willighagen
    given-names: Egon
  - family-names: Steinbeck
    given-names: Christoph
doi: 10.3390/50100093
identifiers:
  - type: doi
    value: 10.3390/50100093
  - type: other
    value: urn:issn:1420-3049
keywords:
  - organic chemistry
  - cheminformatics
  - Internet
  - collaboration
  - JChemPaint
title: >-
  JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free
  Editor for 2D Chemical Structures

GitHub Events

Total
  • Create event: 9
  • Release event: 1
  • Issues event: 16
  • Watch event: 16
  • Delete event: 3
  • Issue comment event: 69
  • Push event: 66
  • Pull request event: 29
  • Fork event: 6
Last Year
  • Create event: 9
  • Release event: 1
  • Issues event: 16
  • Watch event: 16
  • Delete event: 3
  • Issue comment event: 69
  • Push event: 66
  • Pull request event: 29
  • Fork event: 6

Committers

Last synced: about 2 years ago

All Time
  • Total Commits: 1,213
  • Total Committers: 14
  • Avg Commits per committer: 86.643
  • Development Distribution Score (DDS): 0.531
Past Year
  • Commits: 0
  • Committers: 0
  • Avg Commits per committer: 0.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
shk3 s****3@e****1 569
mark_rynbeek m****k@e****1 152
annulen a****n@e****1 119
Ralf Stephan r****f@a****e 104
John May j****y@g****m 97
gilleain g****n@e****1 75
aherraez a****z@e****1 24
egonw e****w@e****1 21
conni75 c****5@e****1 18
John Mayfield j****n@n****m 15
maclean g****e@g****m 12
Nina Jeliazkova j****a@g****m 3
goglepox g****x@e****1 2
dependabot[bot] 4****] 2
Committer Domains (Top 20 + Academic)
nextmovesoftware.com: 1 ark.in-berlin.de: 1

Issues and Pull Requests

Last synced: 4 months ago

All Time
  • Total issues: 10
  • Total pull requests: 16
  • Average time to close issues: over 3 years
  • Average time to close pull requests: 12 months
  • Total issue authors: 8
  • Total pull request authors: 6
  • Average comments per issue: 1.4
  • Average comments per pull request: 2.19
  • Merged pull requests: 8
  • Bot issues: 0
  • Bot pull requests: 1
Past Year
  • Issues: 7
  • Pull requests: 15
  • Average time to close issues: 1 day
  • Average time to close pull requests: 9 days
  • Issue authors: 6
  • Pull request authors: 5
  • Average comments per issue: 0.57
  • Average comments per pull request: 2.27
  • Merged pull requests: 8
  • Bot issues: 0
  • Bot pull requests: 1
View more stats
Top Authors
Issue Authors
  • zirneklitis (2)
  • egonw (2)
  • merkys (1)
  • egorpuzyrev (1)
  • johnpetersa19 (1)
  • kevinsmia1939 (1)
  • Mailaender (1)
  • steinbeck (1)
Pull Request Authors
  • johnmay (6)
  • Mailaender (3)
  • johnpetersa19 (3)
  • RvdPloeg (2)
  • dependabot[bot] (1)
  • rwst (1)
Top Labels
Issue Labels
enhancement (1)
Pull Request Labels
dependencies (1)

Dependencies

app-jar/pom.xml maven
  • org.openscience.jchempaint:jchempaint-core 3.4-SNAPSHOT
  • org.openscience.jchempaint:jchempaint-inchi-jni 3.4-SNAPSHOT
app-osx/pom.xml maven
  • org.openscience.jchempaint:jchempaint-core 3.4-SNAPSHOT
  • org.openscience.jchempaint:jchempaint-inchi-jni 3.4-SNAPSHOT
app-windows/pom.xml maven
  • org.openscience.jchempaint:jchempaint-core 3.4-SNAPSHOT
  • org.openscience.jchempaint:jchempaint-inchi-jni 3.4-SNAPSHOT
core/pom.xml maven
  • commons-cli:commons-cli 1.2
  • org.openscience.cdk:cdk-annotation
  • org.openscience.cdk:cdk-atomtype
  • org.openscience.cdk:cdk-core
  • org.openscience.cdk:cdk-data
  • org.openscience.cdk:cdk-dict
  • org.openscience.cdk:cdk-extra
  • org.openscience.cdk:cdk-formula
  • org.openscience.cdk:cdk-interfaces
  • org.openscience.cdk:cdk-io
  • org.openscience.cdk:cdk-ioformats
  • org.openscience.cdk:cdk-isomorphism
  • org.openscience.cdk:cdk-legacy
  • org.openscience.cdk:cdk-libiocml
  • org.openscience.cdk:cdk-reaction
  • org.openscience.cdk:cdk-render
  • org.openscience.cdk:cdk-renderbasic
  • org.openscience.cdk:cdk-renderextra
  • org.openscience.cdk:cdk-sdg
  • org.openscience.cdk:cdk-smiles
  • org.openscience.cdk:cdk-standard
  • org.openscience.cdk:cdk-valencycheck
  • org.openscience.jchempaint:jchempaint-inchi ${project.version}
  • org.openscience.jchempaint:jchempaint-render ${project.version}
  • junit:junit 4.13.1 test
  • org.easytesting:fest-assert 1.2 test
  • org.easytesting:fest-reflect 1.2 test
  • org.easytesting:fest-swing 1.2 test
inchi/pom.xml maven
  • org.openscience.cdk:cdk-data
  • org.openscience.cdk:cdk-interfaces
  • org.openscience.cdk:cdk-test test
inchi-jni/pom.xml maven
  • org.openscience.cdk:cdk-inchi
  • org.openscience.jchempaint:jchempaint-inchi ${project.version}
inchi-nestedvm/pom.xml maven
  • junit:junit 4.13.1
  • org.openscience.cdk:cdk-core
  • org.openscience.cdk:cdk-data
  • org.openscience.cdk:cdk-interfaces
  • org.openscience.cdk:cdk-io
  • org.openscience.cdk:cdk-sdg
  • org.openscience.jchempaint:jchempaint-inchi 3.4-SNAPSHOT
  • org.iupac:nestedvm-inchi 1.0.2 system
pom.xml maven
  • org.openscience.cdk:cdk-annotation 2.0
  • org.openscience.cdk:cdk-atomtype 2.0
  • org.openscience.cdk:cdk-core 2.0
  • org.openscience.cdk:cdk-data 2.0
  • org.openscience.cdk:cdk-dict 2.0
  • org.openscience.cdk:cdk-extra 2.0
  • org.openscience.cdk:cdk-formula 2.0
  • org.openscience.cdk:cdk-inchi 2.0
  • org.openscience.cdk:cdk-interfaces 2.0
  • org.openscience.cdk:cdk-io 2.0
  • org.openscience.cdk:cdk-ioformats 2.0
  • org.openscience.cdk:cdk-isomorphism 2.0
  • org.openscience.cdk:cdk-legacy 2.0
  • org.openscience.cdk:cdk-libiocml 2.0
  • org.openscience.cdk:cdk-reaction 2.0
  • org.openscience.cdk:cdk-render 2.0
  • org.openscience.cdk:cdk-renderbasic 2.0
  • org.openscience.cdk:cdk-renderextra 2.0
  • org.openscience.cdk:cdk-sdg 2.0
  • org.openscience.cdk:cdk-smiles 2.0
  • org.openscience.cdk:cdk-standard 2.0
  • org.openscience.cdk:cdk-test 2.0
  • org.openscience.cdk:cdk-valencycheck 2.0
render/pom.xml maven
  • org.openscience.cdk:cdk-data
  • org.openscience.cdk:cdk-extra
  • org.openscience.cdk:cdk-interfaces
  • org.openscience.cdk:cdk-legacy
  • org.openscience.cdk:cdk-render
  • org.openscience.cdk:cdk-renderbasic
  • org.openscience.cdk:cdk-renderextra
.github/workflows/maven.yml actions
  • actions/checkout v4 composite
  • actions/setup-java v4 composite