[open-science] Open Computational Chemistry Knowledgebase

Fri Sep 24 17:32:28 UTC 2010

I have just attended a meeting on Databases in QuantumChemistry (
http://neptuno.unizar.es/events/qcdatabases2010/program.html ) and we have
decided to create an Open knowledgebase of the results of Quantum Chemical
calculations. I have opened an Etherpad at:
http://okfnpad.org/zcam2010
It's likely to be fairly specialised but anyone is welcome to help. The idea
is to create a major Open resource of calculations which may be inlcuded in
the world's Linked Open data for chemistry.

More details in the pad.

This is not an official OKF project but it will use the OKD Panton
Principles  and I thought the Pad was a great technology for the group to
use. The data themselves would probably be at Cambridge Unilever Centre but
the metadata can be in CKAN.

Early days.

-- 
Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
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