AIRI-Institute/nablaDFT

Issues

• Question on which specific database contains energy and forces

  #41 opened 2 months ago by JSLJ23
  2

• SchNOrb?

  #27 opened 4 months ago by karsar
  3

• improve download experience

  #28 opened 4 months ago by Fadelis98
  3

• MANIFEST.in missing includes

  #25 opened 4 months ago by tomfu1
  2

• Error on import

  #11 opened 4 months ago by KonstantinUshenin
  3

• Download links not accessible

  #7 opened a year ago by mireklzicar
  6

• Installation is broken because of pytorch-scatter or pytorch-cluster

  #24 opened 5 months ago by KonstantinUshenin
  1

• About data in the summary.csv

  #22 opened 6 months ago by EBGU
  2

• Forces and coefficients_matrix are zero

  #13 opened 7 months ago by KonstantinUshenin
  1

• There is no check for completely downloaded dataset

  #12 opened 7 months ago by KonstantinUshenin
  1

• Missing reference in README.md

  #10 opened 10 months ago by KonstantinUshenin
  1

• Difference in number of conformers

  #1 opened a year ago by ThiagoReschutzegger
  1

• How to reproduce the experiments that training PhiSNet model on nablaDFT

  #4 opened a year ago by ismsgithub
  1

• Confirm values in Energy databases

  #2 opened 2 years ago by lsnty5190
  0