Sampling thermodynamic ensembles of molecular systems with generative neural networks: Will integrating physics-based models close the generalization gap?

Author:

Rotskoff Grant M.

Funder

Google

Publisher

Elsevier BV

Reference85 articles.

1. Stochastic Interpolants: A Unifying Framework for Flows and Diffusions;Albergo,2023

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3. Reverse-time diffusion equation models;Anderson;Stoch. Process. Their Appl.,1982

4. Michael S. Albergo, Eric Vanden-Eijnden, Building normalizing flows with stochastic interpolants. In The Eleventh International Conference on Learning Representations, ICLR 2023, Kigali, Rwanda, May 1–5, 2023. OpenReview.net, 2023.

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