We at @exscientiaAI are looking for a highly-motivated person to help us scale up our Miami office! This is a great opportunity to become a part of a fast-growing AI technology company in an impactful role.
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@lucky_pattanaik@oooctavian The real advantage I see with a model like GeoMol is as a potential part of a generative molecule design approach *directly* in 3D, without having to use a separate conformer generator in the first place.
@lucky_pattanaik@oooctavian yes, that's right - but in case you're looking for diverse conformers (not necessarily energy), that requires the RMSD option indeed. It really depends on the application, in case of Omega, it's primarily to generate bioactive conformers for molecular modeling.
@oooctavian Great work! This will be very useful for a lot of ML applications. Just FYI "For OMEGA, it is not possible to specify a desired number of conformers". This is factually incorrect though and easily possible on both the CLI and toolkit level.
๐ด WHY MIAMI? ๐ด
I spent the past 6 weeks in Miami. There was a lot of hype going in, and I wasnโt sure itโd live up to it.
Spoiler alert: it delivered, and more.
Sharing some takeaways of my bull case for Miami as a tech hub ๐
Is there already a network of AI technology companies in #Miami? To organize meetups and other kinds of events for example - or just to meet & greet local people working in the same field.
@louisanicola_ I can also connect you with people from the ALS clinic at UM if that would be of interest (neurodegeneration and athletics for example).
Great news to see our effort and work going into clinic. 2nd compound I've been involved as designer to go in phase 1 ๐. You can also be part of designing drugs to patients: https://t.co/iepBogd2dY with multiple positions in my group for computational designer
Are you passionate about drug discovery and want to design drugs using the latest technology? At Exscientia, you can be part of a progressive culture that rewards ideas and taking risks to push the limits of our technology and solve challenging drug discovery problems.
For those that do not know us yet: @exscientialtd is a technology company that designs drugs and develops state-of-the-art #AI technology to bring new treatments to patients faster. We are the leading #pharmatech company and have multiple compounds currently in clinical studies.
Come to sunny Florida for #PyDataMiami, hosted at the @watscocenter from April 23rd-24th. What are you waiting for? Tickets on sale now! https://t.co/8b3DEiQxTP
PyData Miami is calling for proposals for the upcoming annual conference. We welcome presentations on Python and other languages realated to data science. Content can be at a novice, intermediate or advanced level. Submit your proposal: https://t.co/o0TUbwvsVX #callforproposals
โALS is not an incurable disease. Itโs an underfunded disease.โ @ChrisSnowCGY
We #EndALS by funding research. We fund research by raising awareness. Please retweet Chrisโ story and help us do just that.
https://t.co/JUBUzfUBxo
So lovely to see the list of Python software used for yesterday's M87 black hole image. Scipy, Numpy, Astropy, Pandas, Jupyter! https://t.co/eyTTOtu9bH