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.
Mdm: Molecular diffusion model for 3d molecule generation.Proceedings of the AAAI Conference on Artificial Intelligence, 37(4):5105–5112, Jun
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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.