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🚨 #machinelearning for #compchem goodies from our 🧑🚀 team incoming! After years of work it's time to share. Go check arxiv.org/abs/2508.15704 and/or metatensor.org to learn about #metatensor and #metatomic. What they are, what they do, why you should use them for all of your atomistic ML projects 🔍.
22.08.2025 07:40
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A metatensor.org sticker on top of the mattehorn
Go metatensor.org!
18.08.2025 07:43
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That's on me, sorry, it's @rgoswami.me
29.06.2025 12:58
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Scheme of the GNN architecture of the FlashMD method.
📢 Running molecular dynamics with time steps up to 64fs for any atomistic system, from Al(110) to Ala2? Thanks to 🧑🚀 Filippo Bigi and Sanggyu Chong, with some help from Agustinus Kristiadis, this is not as crazy as it sounds. Let us briefly introduce FlashMD⚡ arxiv.org/html/2505.19...
27.05.2025 07:02
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