AquaGen_RXRX.pdf

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AquaGen: Scaling generative models to molecular dynamics precision on thousands of atoms ⋆ ⋆ Emmanuel Bengio 1,2 , Sanjeev Raja 1,2,† , Yui Tik Pang1,2 , Kerstin Klaeser1,2 , Cristian Gabellini1,2 , Nikhil Shenoy1,2 , Francesco Di Giovanni1,2 , Prudencio Tossou1,2 1 Valence Labs, 2 Recursion, ⋆ Equal Contribution We present AquaGen, the first all-atom, explicit solvent, periodic-boundary-condition-aware generative model that produces molecular configurations from the Boltzmann distribution at a fraction of…

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• Shreyash Goli

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