ZINC22:Contributors

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.