nesso1.pdf
valencelabs.com · 8,287 words · saved by 1 readers
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Nesso-1: Accelerating Open-Source Binding Affinity Predictions Valence Labs, Recursion Nikhil Shenoy⋆ , David Errington⋆ , Emmanuel Bengio, Kacper Kapuśniak† , Kerstin Klaeser, Yui Tik Pang, Vladimir Radenkovic† , Prudencio Tossou, Therence Bois, Andrew Wedlake, Francesco Di Giovanni⋆ ⋆ Core Contributors, † Work done during an internship In this technical report, we introduce Nesso-1, a coarse-grained cofolding framework for binding- affinity prediction. Nesso-1 requires ∼ 1 second per prediction on a single GPU. This offers more than one order…
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