A DDPM-derived force field combined with the string method produces minimum free energy paths for Müller-Brown and alanine dipeptide, with accuracy sensitive to the chosen noise level.
Rubio-Martinez, M
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Generating Minimum Free Energy Paths With Denoising Diffusion Probabilistic Models
A DDPM-derived force field combined with the string method produces minimum free energy paths for Müller-Brown and alanine dipeptide, with accuracy sensitive to the chosen noise level.