Isayev Lab at CMU

university

http://isayevlab.org/

AI & ML interests

AI4Science and Science4AI

Recent Activity

isayev updated a Space 26 days ago

isayevlab/README

isayev published a Space 26 days ago

isayevlab/README

isayev updated a Space 26 days ago

isayevlab/aimnet2-demo

View all activity

updated a Space 26 days ago

README

published a Space 26 days ago

README

updated a Space 26 days ago

AIMNet2 Demo

Compute energies, optimize structures, and view vibrations

updated a model about 1 month ago

isayevlab/isayevlab

published a model about 1 month ago

isayevlab/isayevlab

updated a model about 1 month ago

isayevlab/aimnet2-rxn

Other • Updated Apr 26 • 61

published a model about 1 month ago

isayevlab/aimnet2-rxn

Other • Updated Apr 26 • 61

published a Space about 2 months ago

AIMNet2 Demo

Compute energies, optimize structures, and view vibrations

updated a model about 2 months ago

isayevlab/aimnet2-pd

Other • Updated Apr 6 • 9

published a model about 2 months ago

isayevlab/aimnet2-pd

Other • Updated Apr 6 • 9

updated a model about 2 months ago

isayevlab/aimnet2-nse

Other • Updated Apr 6 • 20

published a model about 2 months ago

isayevlab/aimnet2-nse

Other • Updated Apr 6 • 20

updated a model about 2 months ago

isayevlab/aimnet2-2025

Other • Updated Apr 6 • 17

published a model about 2 months ago

isayevlab/aimnet2-2025

Other • Updated Apr 6 • 17

updated a model about 2 months ago

isayevlab/aimnet2-wb97m-d3

Other • Updated Apr 6 • 29

published a model about 2 months ago

isayevlab/aimnet2-wb97m-d3

Other • Updated Apr 6 • 29