isayevlab/AIMNet2

Issues

• Periodic Systems

  #9 opened 4 months ago by PythonFZ
  2

• Docker build error

  #7 opened 4 months ago by izxle
  1

• AIMNet2 Performance near TS

  #29 opened 5 months ago by kangmg
  1

• conda installation failed

  #28 opened 5 months ago by palazzef
  1

• Hessian computation fails

  #25 opened 5 months ago by cvsik
  14

• D3 correction not applied

  #27 opened 5 months ago by MorrowChem
  8

• RuntimeError - sparse_nb is empty

  #26 opened 5 months ago by andreas-albers
  5

• GPU Memory Problem

  #24 opened 6 months ago by cvsik
  6

• Fine tuning AIMNet2

  #23 opened 6 months ago by MorrowChem
  0

• RuntimeError when using new AIMNet2ASE calculator

  #22 opened 6 months ago by mamo248
  0

• Apple Silicon/ARM build

  #20 opened 9 months ago by corinwagen
  1

• Conda package

  #13 opened a year ago by jthorton
  5

• Energy Unit

  #19 opened 10 months ago by xiaolinpan
  0

• netrork > network

  #17 opened a year ago by mhellstr
  1

• Struggling With Autograd

  #15 opened a year ago by corinwagen
  3

• Questions about extending AIMnet2 to dimers or large molecules

  #14 opened a year ago by binxi0629
  2

• Malformatted traj.xyz

  #12 opened a year ago by hoelzerC
  2

• MD calculations explode

  #8 opened a year ago by mamo248
  2

• Dockerfile and requirements.txt for reproducibility

  #3 opened a year ago by leelasd
  2

• Error loading the model on CPU

  #2 opened a year ago by leelasd
  2

• License

  #1 opened a year ago by stefdoerr
  1