arXiv Machine Learning July 7, 2026 By Emmanuel Bengio, Sanjeev Raja, Yui Tik Pang, Kerstin Klaeser, Cristian Gabellini, Nikhil Shenoy, Francesco Di Giovanni, Prudencio Tossou

AquaGen: Scaling generative models to molecular dynamics precision on thousands of atoms

Read the original on arXiv Machine Learning →

arXiv:2607. 03513v1 Announce Type: cross Abstract: 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 the cost of molecular dynamics (MD).

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

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