"free energy estimation" Papers

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BoltzNCE: Learning likelihoods for Boltzmann Generation with Stochastic Interpolants and Noise Contrastive Estimation

Rishal Aggarwal, Jacky Chen, Nicholas Boffi et al.

NEURIPS 2025arXiv:2507.00846
3
citations

Unlocking hidden biomolecular conformational landscapes in diffusion models at inference time

Daniel D. Richman, Jessica Karaguesian, Carl-Mikael Suomivuori et al.

NEURIPS 2025spotlightarXiv:2512.03312
3
citations