divelab / AIRS

Artificial Intelligence Research for Science (AIRS)

https://www.air4.science/

divelab/AIRS Issues

the training loss of QHNet did not drop
Updated 7 months ago4
QH9: Reproducing Hamiltonians with PySCF gives 2[μHa] error.
Updated 7 months ago3
QH9: Hamiltonians for the same molecule are very similar.
Updated 7 months ago1
Trained weights Latent diffusion for protein structure generation
Closed 7 months ago1
PotNet enviroment set up
Closed a year ago8
Strange Results
Closed a year ago