Blue Obelisk

Blue Obelisk
Formation2005
FounderPeter Murray-Rust
Membership
23+
Official language
English
Budget
zero
Websitehttp://www.blueobelisk.org/

Blue Obelisk is an informal group of chemists who promote open data, open source, and open standards; it was initiated by Peter Murray-Rust and others in 2005.[1][2][3] Multiple open source cheminformatics projects associate themselves with the Blue Obelisk, among which, in alphabetical order, Avogadro, Bioclipse, cclib, Chemistry Development Kit, GaussSum, JChemPaint, JOELib, Kalzium, Openbabel, OpenSMILES,[4] and UsefulChem.[5]

Dependency diagram of some Blue Obelisk projects.

The project has handed out personal awards for achievements in promoting Open Data, Open Source and Open Standards. Among those who received[6] a Blue Obelisk Award are:

  • Christoph Steinbeck (2006)
  • Geoff Hutchinson (2006)
  • Bob Hanson (2006),
  • Egon Willighagen (2007)
  • Jean-Claude Bradley (2007)
  • Ola Spjuth (2007)
  • Noel O'Boyle (2010)
  • Rajarshi Guha (2010)
  • Cameron Neylon (2010)
  • Alex Wade[7] (2010)
  • Nina Jeliazkova (2010)
  • Henry Rzepa (2011)
  • Dan Zaharevitz (2011)
  • Sam Adams (2011)
  • Jens Thomas (2011)
  • Marcus Hanwell (2011)
  • Roger Sayle (2011)[8]
  • the Environmental Molecular Sciences Laboratory (2012)
  • Saulius Gražulis (2014)
  • Antony Williams (2014)
  • Daniel Lowe (2014)
  • Andrew Lang (2014)
  • Matthew H. Todd (2014)
  • Greg Landrum (2016)
  • Mark Forster (2016)
  • John Mayfield (2017)

See also

  • Cheminformatics

References

  1. ^ P. Murray-Rust, The Blue Obelisk, CDK News, 2005, 2, 43–46
  2. ^ Guha, R; Howard, MT; Hutchison, GR; Murray-Rust, P; Rzepa, H; Steinbeck, C; Wegner, J; Willighagen, EL (2006). "The Blue Obelisk-interoperability in chemical informatics". Journal of Chemical Information and Modeling. 46 (3): 991–8. doi:10.1021/ci050400b. PMC 4878861. PMID 16711717.
  3. ^ O'Boyle, N; Guha, R; Willighagen, EL; Adams, SE; Alvarsson, J; Bradley, JC; Filippov, IV; Hanson, RM; Hanwell, MD; Hutchinson, GR; James, CA; Jeliazkova, N; Lang, ASID; Langer, KM; Lonie, DC; Lowe, DM; Pansanel, J; Pavlov, D; Spjuth, O; Steinbeck, C; Tenderholt, AL; Theisen, TJ; Murray-Rust, P (2011). "Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on". Journal of Cheminformatics. 3 (1): 37. doi:10.1186/1758-2946-3-37. PMC 3205042. PMID 21999342.
  4. ^ "OpenSMILES Home Page".
  5. ^ "UsefulChem - home".
  6. ^ "The Blue Obelisk / Blue Obelisk Wiki / Blue_Obelisk_Awards".
  7. ^ "Alex D. Wade". LinkedIn.
  8. ^ "NextMove Software / News".

External links

  • Official website
  • Twitter account
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Computational chemistry software
Cheminformatics
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Chemical kinetics
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Molecular modelling
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Molecular docking
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Molecular dynamics
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Quantum chemistry
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Skeletal structure drawing
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