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nodes4knime

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nodes4knime – PowerPoint PPT presentation

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Title: nodes4knime


1
nodes4knime
  • Community developed nodes for Knime

2
Overview
  • Aims
  • Develop cheminformatics nodes for Knime
  • Initiate community development
  • Attract sponsorship for Knime and nodes4knime
  • Free to use under GNU PL
  • Cheminformatics nodes based on Chemaxon
  • Chemical file types IO
  • Ligand viewing and chemical sketching
  • More coming
  • Future
  • Getting involved

3
Sketching molecules
  • Marvin for input to a workflow

4
Viewing structures
  • Visualising molecules in a workflow

5
Chemical File IO
  • Reading and writing files

6
Future development
  • More cheminformatics nodes
  • Other Chemaxon components
  • Compute Server and nodes
  • Execute computational work across a cluster of
    Linux machines from Knime
  • Integrate in-house, academic and commercial
    applications quickly
  • Web services interface to access from other
    workflow engines and software
  • Free GNU PL

7
Getting involved
  • Support the project
  • Develop and contribute nodes
  • Sponsor development
  • Discuss and contribute ideas
  • Contact us
  • andrew_at_edgesoftwareconsultancy.com
  • See http//sourceforge.net/projects/nodes4knime/
  • First nodes being deposited shortly
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