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Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model.
Chenru Duan
Yuanqi Du
Haojun Jia
Heather J. Kulik
Published in:
Nat. Comput. Sci. (2023)
Keyphrases
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diffusion model
information diffusion
high quality
state space
anisotropic diffusion
information systems
multiscale
social networks
object recognition
image analysis
image data
collaborative learning
influence maximization