DebiChem Project
Summary
Cheminformatics
DebiChem Cheminformatics

This metapackage will install cheminformatics packages useful for chemists.

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Description

For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:

If you discover a project which looks like a good candidate for DebiChem to you, or if you have prepared an unofficial Debian package, please do not hesitate to send a description of that project to the DebiChem mailing list

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DebiChem Cheminformatics packages

Official Debian packages with high relevance

libcdk-java
??? missing short description for package libcdk-java :-(
Versions of package libcdk-java
ReleaseVersionArchitectures
sid2.11-1all
trixie2.11-1all
forky2.11-1all
bullseye2.3.134.g1bb9a64587-2all
bookworm2.8-2all
upstream2.12
Debtags of package libcdk-java:
devellang:java, library
fieldchemistry
roledevel-lib
Popcon: 3 users (3 upd.)*
Newer upstream!
 License: DFSG free
Git
Please cite: C. Steinbeck, Y. Han, S. Kuhn, O. Horlacher, E. Luttmann and E. L. Willighagen: The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics. (2003)
libchemicaltagger-java
??? missing short description for package libchemicaltagger-java :-(
Versions of package libchemicaltagger-java
ReleaseVersionArchitectures
forky1.6.2-4all
bookworm1.6.2-2all
trixie1.6.2-4all
sid1.6.2-4all
Popcon: 0 users (0 upd.)*
Versions and Archs
 License: DFSG free
Git
Please cite: Lezan Hawizy, David M Jessop, Nico Adams and Peter Murray-Rust: ChemicalTagger: A tool for semantic text-mining in chemistry. Journal of Cheminformatics 3(1) (2011)
libinchi-bin
??? missing short description for package libinchi-bin :-(
Versions of package libinchi-bin
ReleaseVersionArchitectures
trixie1.07.3+dfsg-1amd64,arm64,armel,armhf,i386,ppc64el,riscv64,s390x
forky1.07.3+dfsg-2amd64,arm64,armhf,i386,loong64,ppc64el,riscv64,s390x
bookworm1.03+dfsg-4amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
sid1.07.3+dfsg-2amd64,arm64,armhf,i386,loong64,ppc64el,riscv64,s390x
upstream1.07.5
Popcon: 1 users (1 upd.)*
Newer upstream!
 License: DFSG free
Git
libjni-inchi-java
??? missing short description for package libjni-inchi-java :-(
Versions of package libjni-inchi-java
ReleaseVersionArchitectures
bookworm0.8+dfsg-7all
sid0.8+dfsg-8all
bullseye0.8+dfsg-6all
trixie0.8+dfsg-8all
forky0.8+dfsg-8all
Popcon: 0 users (0 upd.)*
Versions and Archs
 License: DFSG free
Git
libopenchemlib-java
??? missing short description for package libopenchemlib-java :-(
Versions of package libopenchemlib-java
ReleaseVersionArchitectures
trixie2023.1.1+dfsg-1all
sid2026.2.2+ds-1all
bookworm2023.1.1+dfsg-1all
bullseye2021.2.0+dfsg-1all
upstream2026.5.1
Popcon: 0 users (0 upd.)*
Newer upstream!
 License: DFSG free
Git
libopsin-java
??? missing short description for package libopsin-java :-(
Versions of package libopsin-java
ReleaseVersionArchitectures
forky2.9.0-1all
sid2.9.0-1all
bullseye2.5.0-1all
bookworm2.7.0-2all
trixie2.8.0-3all
Popcon: 1 users (0 upd.)*
Versions and Archs
 License: DFSG free
Git
liboscar4-java
??? missing short description for package liboscar4-java :-(
Versions of package liboscar4-java
ReleaseVersionArchitectures
forky5.3.0+dfsg-1all
sid5.3.0+dfsg-1all
bookworm5.2.0+dfsg-2all
trixie5.2.0+dfsg-3all
Popcon: 0 users (0 upd.)*
Versions and Archs
 License: DFSG free
Git
Please cite: David M Jessop, Sam E Adams, Egon L Willighagen, Lezan Hawizy and Peter Murray-Rust: OSCAR4: a flexible architecture for chemical text-mining. Journal of Cheminformatics 3(1) (2011)
openbabel
??? missing short description for package openbabel :-(
Versions of package openbabel
ReleaseVersionArchitectures
trixie3.1.1+dfsg-12amd64,arm64,armel,armhf,i386,ppc64el,riscv64,s390x
experimental3.1.1+dfsg-15~expamd64,arm64,armhf,i386,loong64,ppc64el,s390x
sid3.1.1+dfsg-14amd64,arm64,armhf,i386,loong64,ppc64el,riscv64,s390x
forky3.1.1+dfsg-14amd64,arm64,armhf,i386,ppc64el,riscv64,s390x
bullseye3.1.1+dfsg-6amd64,arm64,armhf,i386
bookworm3.1.1+dfsg-9amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
Debtags of package openbabel:
fieldchemistry
interfacecommandline
roleprogram
scopeutility
useconverting
Popcon: 133 users (64 upd.)*
Versions and Archs
 License: DFSG free
Git
Screenshots of package openbabel
osra
??? missing short description for package osra :-(
Versions of package osra
ReleaseVersionArchitectures
forky2.1.3-4amd64,arm64,armhf,i386,ppc64el,riscv64,s390x
sid2.1.3-4amd64,arm64,armhf,i386,loong64,ppc64el,riscv64,s390x
trixie2.1.3-3amd64,arm64,armel,armhf,i386,ppc64el,riscv64,s390x
bookworm2.1.3-3amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
upstream2.2.4
Popcon: 1 users (0 upd.)*
Newer upstream!
 License: DFSG free
Git
python3-indigo
??? missing short description for package python3-indigo :-(
Versions of package python3-indigo
ReleaseVersionArchitectures
sid1.4.3-1all
bullseye1.2.3-3.1all
bookworm1.2.3-3.1all
trixie1.2.3-3.1all
forky1.4.3-1all
upstream1.44.0-rc.4
Popcon: 2 users (1 upd.)*
Newer upstream!
 License: DFSG free
Git
python3-openbabel
??? missing short description for package python3-openbabel :-(
Versions of package python3-openbabel
ReleaseVersionArchitectures
sid3.1.1+dfsg-14amd64,arm64,armhf,i386,loong64,ppc64el,riscv64,s390x
experimental3.1.1+dfsg-15~expamd64,arm64,armhf,i386,loong64,ppc64el,s390x
forky3.1.1+dfsg-14amd64,arm64,armhf,i386,ppc64el,riscv64,s390x
trixie3.1.1+dfsg-12amd64,arm64,armel,armhf,i386,ppc64el,riscv64,s390x
bookworm3.1.1+dfsg-9amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
bullseye3.1.1+dfsg-6amd64,arm64,armhf,i386
Popcon: 21 users (39 upd.)*
Versions and Archs
 License: DFSG free
Git
python3-rdkit
??? missing short description for package python3-rdkit :-(
Versions of package python3-rdkit
ReleaseVersionArchitectures
sid202603.2-1amd64
bookworm202209.3-1amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x
trixie202503.1-4amd64,arm64,ppc64el,riscv64
forky202503.6-4amd64,arm64,ppc64el,riscv64
sid202503.6-4arm64,loong64,ppc64el,riscv64
bullseye202009.4-1amd64,arm64,armhf,i386
Popcon: 123 users (23 upd.)*
Versions and Archs
 License: DFSG free
Git
Registry entries: SciCrunch 
smiles-scripts
??? missing short description for package smiles-scripts :-(
Versions of package smiles-scripts
ReleaseVersionArchitectures
sid0.4.0+dfsg-3all
forky0.4.0+dfsg-3all
trixie0.3.0+svn878+branch+system+deps-2all
bookworm0.2.0+dfsg1-4all
Popcon: 1 users (0 upd.)*
Versions and Archs
 License: DFSG free
Git
Please cite: Miguel Quirós, Saulius Gražulis, Saulė Girdzijauskaitė, Andrius Merkys and Antanas Vaitkus: Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database. Journal of Cheminformatics 10(1) (2018)
*Popularitycontest results: number of people who use this package regularly (number of people who upgraded this package recently) out of 284384