Category:Free: Difference between revisions
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Please also see [[Category:Commercial]]. Distinguish between free to use (gratis) vs free to develop (libre). | Please also see [[Category:Commercial]]. Distinguish between free to use (gratis) vs free to develop (libre). | ||
= Free cheminformatics software = | |||
Most completely free software for chemical informatics is part of the [http://www.blueobelisk.com Blue Obelisk Movement]. We note some of these, as well as other packages, below: | Most completely free software for chemical informatics is part of the [http://www.blueobelisk.com Blue Obelisk Movement]. We note some of these, as well as other packages, below: | ||
* [http://jmol.sourceforge.net JMol] - so good, Nature picked it. | * [http://jmol.sourceforge.net JMol] - so good, Nature picked it. | ||
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* [http://www.knime.org Knime] - a free Scitegic PipelinePilot style program | * [http://www.knime.org Knime] - a free Scitegic PipelinePilot style program | ||
* [http://www.mayachemtools.org MayaChemTools] - a growing collection of Perl scripts, modules, and classes to support day-to-day computational discovery needs | * [http://www.mayachemtools.org MayaChemTools] - a growing collection of Perl scripts, modules, and classes to support day-to-day computational discovery needs | ||
= Free databases = | |||
* [[ZINC Database]] | |||
* [[PubChem]] | |||
** [http://www.ncbi.nlm.nih.gov/Class/PubChem/course.html Principles of PubChem NCBI Training Course] | |||
** [http://www.indiana.edu/~cheminfo/PubChemHandout.doc PubChem Handout Word document (Dana Roth, Caltech) ] | |||
* [[KEGG]] | |||
* [http://cdb.ics.uci.edu/CHEM/Web/ ChemDB @ UCI] - public database of small molecules and related chemical informatics resources | |||
* [http://bioinf.charite.de/superdrug/ SuperDrug] - a conformational drug database | |||
* [http://bioinformatics.charite.de/supernatural/ SuperNatural] - searchable database of available natural compounds | |||
* [http://bioinformatics.charite.de/superligands/ SuperLigands] - a PDB ligand database | |||
* [http://cheminf.cmbi.ru.nl/biometa/ BioMeta ] - a database of metabolites derived from KEGG | |||
* [http://xpdb.nist.gov/chemblast/pdb.pl ChemBlast] - a tool to find the same ligand in many PDB structures | |||
[[Category:Portal]] | [[Category:Portal]] | ||
[[Category:Attributes]] | [[Category:Attributes]] | ||
Revision as of 16:43, 11 March 2014
Free databases, programs and services are tagged as free to make them easy to find here. Some things are only free to academics, or qualified academics. Others require a contract, but cost no money. You must read the fine print. Here we collect things that are generally freely available at least to academics. Please also see. Distinguish between free to use (gratis) vs free to develop (libre).
Free cheminformatics software
Most completely free software for chemical informatics is part of the Blue Obelisk Movement. We note some of these, as well as other packages, below:
- JMol - so good, Nature picked it.
- CDK - many of these packages, such as Bioclipse, make use of CDK.
- OpenBabel/JOELib - format conversion
- Bioclipse - a visual platform for chemical and bio-informatics.
- Knime - a free Scitegic PipelinePilot style program
- MayaChemTools - a growing collection of Perl scripts, modules, and classes to support day-to-day computational discovery needs
Free databases
- KEGG
- ChemDB @ UCI - public database of small molecules and related chemical informatics resources
- SuperDrug - a conformational drug database
- SuperNatural - searchable database of available natural compounds
- SuperLigands - a PDB ligand database
- BioMeta - a database of metabolites derived from KEGG
- ChemBlast - a tool to find the same ligand in many PDB structures
Subcategories
This category has the following 2 subcategories, out of 2 total.
Pages in category "Free"
The following 17 pages are in this category, out of 17 total.