Gianni De Fabritiis
gdefabritiis.bsky.social
ON SABBATICAL. Computer Simulations, Computational Intelligence, AI. Research professor and CEO https://www.acellera.com. Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
👤 Joined on 14 November 2024
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- 14 Kas 2024, 00:28
🎉 Bluesky'e katıldı - İlk kullanıcı adı:
@gdefabritiis.bsky.social
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❤️ Beğendiği Gönderiler
Finally out in print! Long time project with @olexandr.bsky.social and the PHENIX group. Refinement of X-ray and CryoEM structures, using Machine Learned Potentials as the back end to help fitting. This fulfills the old dream of doing QM refinement, but very very cheap www.nature.com/articles/s41...
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📂 Stay organized while exploring molecules in open.playmolecule.com! Group them by clicking the Group button in the menu bar. Toggle the visibility of all systems in a group by clicking on it. Watch the video to see how grouping simplifies your molecular exploration!
Show Post🐍 Dive into molecule analysis with our Python terminal in open.playmolecule.com! Interact with loaded molecules using #Moleculekit. Execute Python code within the terminal to obtain information of your systems, apply filters, perform calculations, and more. Watch the demo!
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The Milky Way. Taken from New Zealand's South Island. #photography #stars #nightskys #darksky
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I'm teaming up with Sebastian Ditter & @gdefabritiis.bsky.social to present our paper on BricksRL, a library that enables control of Lego robots using #PyTorch
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