Isayev Lab at CMU

university

http://isayevlab.org/

AI & ML interests

AI4Science and Science4AI

Recent Activity

isayev updated a Space 10 days ago

isayevlab/aimnet2-demo

isayev published a Space 10 days ago

isayevlab/aimnet2-demo

isayev updated a Space 10 days ago

isayevlab/README

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updated a Space 10 days ago

AIMNet2 Demo

Predict molecular energies, forces and visualize structures

published a Space 10 days ago

AIMNet2 Demo

Predict molecular energies, forces and visualize structures

updated a Space 10 days ago

README

published a Space 10 days ago

README

updated a model 10 days ago

isayevlab/aimnet2-pd

Other • Updated 10 days ago • 43

published a model 10 days ago

isayevlab/aimnet2-pd

Other • Updated 10 days ago • 43

updated a model 10 days ago

isayevlab/aimnet2-nse

Other • Updated 10 days ago • 44

published a model 10 days ago

isayevlab/aimnet2-nse

Other • Updated 10 days ago • 44

updated a model 10 days ago

isayevlab/aimnet2-2025

Other • Updated 10 days ago • 43

published a model 10 days ago

isayevlab/aimnet2-2025

Other • Updated 10 days ago • 43

updated a model 10 days ago

isayevlab/aimnet2-wb97m-d3

Other • Updated 10 days ago • 43

published a model 10 days ago

isayevlab/aimnet2-wb97m-d3

Other • Updated 10 days ago • 43