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Here are the people that made ZINC22 possible.
- 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.
- 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.