Toggle Dropdown
Announcements
Projects
News & Events
Welcome guest
Log in
Loading
Loading...
https://www.nature.com/articles/s43588-023-00563-7
0
0
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model - Nature.com
12/15/23 at 10:02am
Organization
Nature.com
51 words
0
Comments
A diffusion model that generates chemical reactions in 3D with all desired symmetries preserved is established and shown to reduce transition state search from days to seconds and complement intuition-based reaction exploration with generative AI.
Science
transition state generation
diffusion model
reaction exploration
transition state search
You are the first to view
Create an account
or
login
to join the discussion
Modal title
...
Profile
Loading profile
Loading...