aheifets

6 ms·

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Atomwise Is Hiring a Senior Data Engineer (Cheminformatics/Bioinformatics)(atomwise.com)
1 points by aheifets 7y ago
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YC Partners with Atomwise to Fund More Bio Companies(blog.ycombinator.com)
1 points by aheifets 7y ago|0 comments
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by aheifets 8y ago
Atomwise (YC W15) | Infrastructure, DevOps, Machine Learning | San Francisco | Full-time | Onsite | https://www.atomwise.com/careers/ Atomwise Inc. patented the first deep learning technology for structure-based small
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by aheifets 8y ago
Atomwise (YC W15) | Infrastructure, DevOps, Machine Learning | San Francisco | Full-time | Onsite | https://www.atomwise.com/careers/ Atomwise Inc. patented the first deep learning technology for structure-based small
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by aheifets 8y ago
That's a very useful tool! Part of the reason that we launched the Atomwise AIMS program http://www.atomwise.com/aims-awards/ was to address the cost of compounds, in addition to the cost of equipment. We use ou
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Atomwise (YC W15) Is Hiring Infrastructure Engineers to Design Medicine with AI(atomwise.com)
1 points by aheifets 10y ago
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by aheifets 11y ago
I haven't thought about it closely but, from a cursory read, it sounds like the SquareList data structure: http://www.drdobbs.com/database/the-squarelist-data-structur...
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by aheifets 11y ago
AutoDock Smina is referenced in the paper, and its source is available under GPLv2: http://sourceforge.net/projects/smina/ If you're interested in open source for deep learning, there are a number of toolkits
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by aheifets 11y ago
Thanks for the link! I answered some questions about our technique earlier ( https://news.ycombinator.com/item?id=9157777 ), which may help elucidate context.
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by aheifets 11y ago
Atomwise (YC W15) | San Francisco | Full time, ONSITE | Deep Learning, Computational Chemistry Atomwise uses deep neural networks to help discover new medicines. Our customers are top researchers at institutions such as Merck and the Dana F
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by aheifets 11y ago
Atomwise (YC W15) | San Francisco | Full time, ONSITE | Deep Learning, Computational Chemistry Atomwise uses deep neural networks to help discover new medicines. Our customers are top researchers at institutions such as Merck and the Dana
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by aheifets 12y ago
Thank you! Personally, I find it very exciting to be working on these problems. With respect to boosting, we have more investigation to do, of course; the tricky issue with the biological domain is that we know the underlying data is incre
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by aheifets 12y ago
Today, those tests are done physically. But, you're right: if you have a good system to tell if a molecule will stick to a given protein, there's no reason to constrain your tests to the protein you want to hit. You can also p
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by aheifets 12y ago
The typical timeline to get an actual cure all the way through the drug discovery pipeline is about 14 years. While we haven't been around long enough for that, we have had our algorithmic predictions validated by follow up physical e
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by aheifets 12y ago
Great questions! The typical input to the neural network is the 3D structure of the molecule and of the protein. The model works by detecting patterns in the pair of protein and the drug that correlate with binding, e.g. hydrogen bonding,
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by aheifets 12y ago
New medical discoveries aside, we're seeing self-driving cars and speech recognition that runs on a cell phone. I grew up reading about those kinds of things in Asimov, so I personally find the progress pretty exciting.
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by aheifets 12y ago
Thank you for the kind wishes! Over the past few years, there's been a huge increase in the amount of data available for this kind of machine learning. We curate our data from a number of private and public sources. For example, as p
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by aheifets 12y ago
As you might expect, there are trade-offs, and it's a question of picking the right tool for the job. My understanding of D.E. Shaw's approach is that they're doing molecular dynamics, i.e. simulation. You get to watch the m
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by aheifets 12y ago
I’m the cofounder and CEO of Atomwise and, since this is Hacker News, I thought I’d cover the technical details a bit more: We run deep neural networks on one of the biggest supercomputers (#74 in the world, http://www.top500.or