Abraham Stern – NVIDIA Technical Blog News and tutorials for developers, data scientists, and IT admins 2024-01-25T18:17:38Z http://www.open-lab.net/blog/feed/ Abraham Stern <![CDATA[New Models MolMIM and DiffDock Power Molecule Generation and Molecular Docking in NVIDIA BioNeMo]]> http://www.open-lab.net/blog/?p=75967 2024-01-25T18:17:38Z 2024-01-08T19:00:00Z The search for viable drugs is one of the most formidable challenges at the intersection of science, technology, and medicine.  Mathematically, the odds of...]]>

The search for viable drugs is one of the most formidable challenges at the intersection of science, technology, and medicine. Mathematically, the odds of randomly stumbling across a good therapeutic candidate are staggeringly small. This is owed primarily to the astronomically large number of ways that just a handful of atoms can be connected together to make what appear at first glance to be…

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Abraham Stern <![CDATA[Accelerated Computing Holds the Key to Democratized Drug Discovery]]> http://www.open-lab.net/blog/?p=49410 2023-06-12T09:26:48Z 2022-06-24T17:44:16Z The field of drug discovery is at a fascinating inflection point. The physics of the problem are understood and calculable, yet quantum mechanical calculations...]]>

The field of drug discovery is at a fascinating inflection point. The physics of the problem are understood and calculable, yet quantum mechanical calculations are far too expensive and time consuming. Eroom’s Law observes that drug discovery is becoming slower and more expensive over time, despite improvements in technology. A recent article examining the transformational role of GPU…

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