AUTHOREA
Log in Sign Up Browse Preprints
\label{chemtool} Open source cheminformatics toolkits.
Name URL License Activity Citation
BALL http://www.ball-project.org/ LGPL A2 \cite{Hildebrandt_2010}
CDK https://sourceforge.net/projects/cdk LGPL A1 \cite{Steinbeck_2006}
Chem\({}^{f}\) https://github.com/stefan-hoeck/chemf GPL C2 \cite{H_ck_2012}
chemfp http://chemfp.com MIT C3 \cite{dalke2011chemfp}
chemkit https://github.com/kylelutz/chemkit BSD B1
ChemmineR https://www.bioconductor.org/packages/release/bioc/html/ChemmineR.html Artistic A1 \cite{Cao_2008}
Cinfony https://github.com/cinfony/cinfony BSD/GPL B1 \cite{cinfony}
CurlySMILES http://www.axeleratio.com/csm/proj/main.htm GPL C2 \cite{Drefahl_2011}
DisCuS https://github.com/mwojcikowski/discus GPL B3 \cite{W_jcikowski_2014}
Fafoom https://github.com/adrianasupady/fafoom LGPL A2 \cite{Supady_2015}
fmcsR http://www.bioconductor.org/packages/fmcsR Artistic A1 \cite{Wang_2013}
frowns http://frowns.sourceforge.net Python C2
Helium http://www.moldb.net/helium.html BSD B2
Indigo http://lifescience.opensource.epam.com/indigo GPL A1 \cite{Pavlov_2011}
JoeLib http://sourceforge.net/projects/joelib GPL C1
LICSS https://github.com/KevinLawson/excel-cdk GPL A2 \cite{Lawson_2012}
MayaChemTools http://www.mayachemtools.org LGPL A2 \cite{sud2012mayachemtools}
Mychem http://mychem.sourceforge.net GPL B2
ODDT https://github.com/oddt/oddt BSD A2 \cite{W_jcikowski_2015}
Open Babel http://openbabel.org GPL A1 \cite{openbabel}
OPSIN http://opsin.ch.cam.ac.uk Artistic A1 \cite{Lowe_2011}
OrChem http://orchem.sourceforge.net LGPL C2 \cite{Rijnbeek_2009}
osra http://sourceforge.net/projects/osra GPL A1 \cite{Filippov_2009}
OUCH https://github.com/odj/Ouch GPL C2
pybel http://openbabel.org/docs/dev/UseTheLibrary/Python_Pybel.html GPL A1 \cite{pybel}
rcdk https://cran.r-project.org/web/packages/rcdk LGPL B2 \cite{guha2007chemical}
RDKit http://www.rdkit.org BSD A1
RInChI http://www-rinchi.ch.cam.ac.uk Apache A3
rpubchem https://r-forge.r-project.org/projects/rpubchem GPL C3
rubabel https://github.com/princelab/rubabel MIT C2 \cite{Smith_2013}
SMSD http://www.ebi.ac.uk/thornton-srv/software/SMSD CCAL B2 \cite{Rahman_2009}
Som-itTM http://silicos-it.be LGPL C3
webchem https://github.com/ropensci/webchem MIT A2