Category:Free: Difference between revisions

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= Free cheminformatics software =
= Free cheminformatics software =
* [[Rdkit]]
* [[Rdkit]]
The [http://www.blueobelisk.com Blue Obelisk Movement] collects free software and databases. We note some of these, as well as other packages, below:
* [http://sourceforge.net/projects/blueobelisk/ Blue Obelisk] - collection of free software and databases.  
* [http://jmol.sourceforge.net JMol]  
* [http://jmol.sourceforge.net JMol]  
* [http://cdk.sourceforge.net CDK] - many of these packages, such as Bioclipse, make use of CDK.
* [http://cdk.sourceforge.net CDK] - many of these packages, such as Bioclipse, make use of CDK.

Revision as of 17:23, 21 August 2014

The modern world has brought us nuanced ideas about what free means. Fortunately, many, many resources for drug discovery are free to use (gratis) for academics, as long as you abide by the rules. A growing number of resources are even freer (libre). You must read the license to know which one you've got.

Free databases, programs and services referenced on this site are tagged as free to make them easy to find here. Some things are only free to academics, some only for qualifying academic projects. We called these Category:Freecom meaning a free/commercial mixed model. Here we collect things that are generally freely available (gratis) at least to academics. Please also see Category:Commercial.

Free databases

Free datasets and other resources

Free cheminformatics software

  • Rdkit
  • Blue Obelisk - collection of free software and databases.
  • JMol
  • 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
  • OpenBabel

Open Source Drug Discovery

Open Source is well known in the computer science community, and indeed in bioinformatics. A number of initiatives that include small molecule drug design have been launched. They are attempting to discover 'open source drugs', however strange that may sound. We ignore here initiatives that aim to develop vaccines, not because they are not important, but because our interest is in small molecules.

Subcategories

This category has the following 2 subcategories, out of 2 total.

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Pages in category "Free"

The following 17 pages are in this category, out of 17 total.