Isayev Lab at CMU

university

http://isayevlab.org/

AI & ML interests

AI4Science and Science4AI

updated a model 2 months ago

isayevlab/protonator-models

published a model 3 months ago

isayevlab/protonator-models

updated a Space 4 months ago

README

published a Space 4 months ago

README

updated a Space 4 months ago

AIMNet2 Demo

Compute energies, optimize structures, and view vibrations

updated a model 5 months ago

isayevlab/isayevlab

published a model 5 months ago

isayevlab/isayevlab

updated a model 5 months ago

isayevlab/aimnet2-rxn

Other • Updated Apr 26 • 117

published a model 5 months ago

isayevlab/aimnet2-rxn

Other • Updated Apr 26 • 117

published a Space 5 months ago

AIMNet2 Demo

Compute energies, optimize structures, and view vibrations

updated a model 5 months ago

isayevlab/aimnet2-pd

Other • Updated Apr 6 • 23

published a model 5 months ago

isayevlab/aimnet2-pd

Other • Updated Apr 6 • 23

updated a model 5 months ago

isayevlab/aimnet2-nse

Other • Updated Apr 6 • 36

published a model 5 months ago

isayevlab/aimnet2-nse

Other • Updated Apr 6 • 36

updated a model 5 months ago

isayevlab/aimnet2-2025

Other • Updated Apr 6 • 97

published a model 5 months ago

isayevlab/aimnet2-2025

Other • Updated Apr 6 • 97

updated a model 5 months ago

isayevlab/aimnet2-wb97m-d3

Other • Updated Apr 6 • 111

published a model 5 months ago

isayevlab/aimnet2-wb97m-d3

Other • Updated Apr 6 • 111