ZINC22:Contributors

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Here are the people that made ZINC22 possible.

Lab/Team members

  • Munkzhul (Julia) Khurelbaatar . Cartblanche, including tranche browser.
  • Chinzorig Dandarchuluun. Backend support for Cartblanche. Search. TIN databases.
  • John J Guttierez. Infrastructure. Curation of Smallworld and Arthor.
  • Benjamin Tingle. Scripts and deployment. 2D database processing scripts. 3D building optimization. Restartability.
  • Khanh Tang. Backend support. Database curation.
  • Jiankun Lyu, and Stefan Gahbauer: 3D building script. other scripts. Ideas, testing.

Friends of the lab

  • Dmytro Dudenko and Andrii Kyrylchuk at Enamine/Chemspace. For scripts, testing, advice, and help with documentation and testing.
  • John Mayfield & Roger Sayle: Arthor and Smallworld.
  • Yurii Moroz & Team. Molecules. fine tranching.

Former lab members

  • Jennifer Young. Pioneering work on database processing, arthor, smallworld.

Funding

  • GM71896
  • GM133836
  • DARPA
  • BKS MIRA
  • This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
  • Access to Wynton/UCSF is gratefully acknowledged.
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