The paper develops an action-operator semantics for molecular diffusion models that supports auditable free-energy estimation from endpoint data.
Two for one: Diffusion models and force fields for coarse-grained molecular dynamics.Journal of Chemical Theory and Computation, 19(18):6151–6159, Sep 2023
2 Pith papers cite this work. Polarity classification is still indexing.
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2026 2verdicts
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Proposes generative pseudo-force fields trained on quadratic pseudo-potentials from noisy equilibria as a time-step-agnostic diffusion variant for efficient molecular conformation generation with high validity on QM9.
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Generative Pseudo-Force Fields for Molecular Generation
Proposes generative pseudo-force fields trained on quadratic pseudo-potentials from noisy equilibria as a time-step-agnostic diffusion variant for efficient molecular conformation generation with high validity on QM9.