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It takes downloading one of these files, gunzipping them, extracting the tar and opening up a JSON file at random to really understand just how distant the titl

by pp19dd 7y ago

It takes downloading one of these files, gunzipping them, extracting the tar and opening up a JSON file at random to really understand just how distant the title of the project is from its contents. I fully realize this is about natural language processing, but... this is beyond reach. You'd have to teach a computer to become a doctor first. Feels like where AI (and computing in general) should go in case of Covid-19 and other illnesses is analyzing and simulating how the heck we work to begin with. Take a few minutes to watch these videos of supercomputer simulations that show -- fragments -- of the fundamentals of how we exist. Multi Scale Modeling of Chromatin and Nucleosomes - https://www.youtube.com/watch?v=4Z4KwuUfh0A https://www.youtube.com/watch?v=4Z4KwuUfh0A DNA animation showing realtime DNA replication - https://www.youtube.com/watch?v=7Hk9jct2ozY https://www.youtube.com/watch?v=7Hk9jct2ozY Somewhere in these mind-boggling processes is where the disruption called Covid-19 puts a stick in our wheels. Compared to the complexity of the simulations, abstract ideas contained in these files are so macroscopic by comparison. It's both humbling and awe-inspiring.

typon 7y ago
Even though the Multi Scale Modeling video is extremely impressive - it is still an MD simulation that uses classical mechanics. A full atomistic quantum simulation of such a large system is out of reach for even the largest super computers. We barely know anything about biology.
- ksk 7y ago
  They're already using MD simulation in certain areas of drug discovery (computer aided drug design). Naturally, as you mentioned we're compute-limited so the models are simpler and the questions we ask of it are also 'simple'. But that is not stopping us at all. While not exactly MD, My S.O. works in drug discovery and they use simple computational screening models to simulate the chemistry and screen out tens of thousands of possible drug candidates.

by pp19dd 7y ago

typon 7y ago

Even though the Multi Scale Modeling video is extremely impressive - it is still an MD simulation that uses classical mechanics. A full atomistic quantum simulation of such a large system is out of reach for even the largest super computers. We barely know anything about biology.

ksk 7y ago
They're already using MD simulation in certain areas of drug discovery (computer aided drug design). Naturally, as you mentioned we're compute-limited so the models are simpler and the questions we ask of it are also 'simple'. But that is not stopping us at all. While not exactly MD, My S.O. works in drug discovery and they use simple computational screening models to simulate the chemistry and screen out tens of thousands of possible drug candidates.