Isayev Lab at CMU

university

http://isayevlab.org/

AI & ML interests

AI4Science and Science4AI

Recent Activity

isayev updated a model 7 days ago

isayevlab/protonator-models

isayev published a model about 1 month ago

isayevlab/protonator-models

isayev updated a model about 1 month ago

isayevlab/protonator-models

View all activity

updated a model 7 days ago

isayevlab/protonator-models

Updated 7 days ago

published a model about 1 month ago

isayevlab/protonator-models

Updated 7 days ago

updated a Space 2 months ago

README

published a Space 2 months ago

README

updated a Space 2 months ago

AIMNet2 Demo

Compute energies, optimize structures, and view vibrations

updated a model 3 months ago

isayevlab/isayevlab

published a model 3 months ago

isayevlab/isayevlab

updated a model 3 months ago

isayevlab/aimnet2-rxn

Other • Updated Apr 26 • 40

published a model 3 months ago

isayevlab/aimnet2-rxn

Other • Updated Apr 26 • 40

published a Space 3 months ago

AIMNet2 Demo

Compute energies, optimize structures, and view vibrations

updated a model 3 months ago

isayevlab/aimnet2-pd

Other • Updated Apr 6 • 5

published a model 3 months ago

isayevlab/aimnet2-pd

Other • Updated Apr 6 • 5

updated a model 3 months ago

isayevlab/aimnet2-nse

Other • Updated Apr 6 • 14

published a model 3 months ago

isayevlab/aimnet2-nse

Other • Updated Apr 6 • 14

updated a model 3 months ago

isayevlab/aimnet2-2025

Other • Updated Apr 6 • 19

published a model 3 months ago

isayevlab/aimnet2-2025

Other • Updated Apr 6 • 19

updated a model 3 months ago

isayevlab/aimnet2-wb97m-d3

Other • Updated Apr 6 • 61

published a model 3 months ago

isayevlab/aimnet2-wb97m-d3

Other • Updated Apr 6 • 61