Rory Kelleher – NVIDIA Technical Blog News and tutorials for developers, data scientists, and IT admins 2022-11-23T22:01:32Z http://www.open-lab.net/blog/feed/ Rory Kelleher <![CDATA[OpenEye Scientific��s OMEGA Generates 3D Molecular Conformers for Drug Design 30X Faster with NVIDIA]]> http://www.open-lab.net/blog/?p=39581 2022-11-23T22:01:32Z 2021-11-03T13:00:00Z Computational molecular design involves compute-intense calculations that require exceptional processing power.  Whether working in pharmaceuticals,...]]>

Computational molecular design involves compute-intense calculations that require exceptional processing power. Whether working in pharmaceuticals, biotechnology, agrochemicals, or the fragrance industry, researchers are oftentimes dealing with datasets that encompass millions to billions of compounds. Until recently, this required that companies invest in expensive…

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