ZimmermanGroup/conformer-rl

Issues

• Which version torch_geometric you used?

  #66 opened a year ago by mw742
  5

• Fix Bug with curriculum taking latest reward instead of average

  #63 opened 2 years ago by runxuanjiang
  0

• Radial distribution functions for lignin

  #49 opened 3 years ago by joshkamm
  0

• Write documentation for molecule generators

  #37 opened 3 years ago by joshkamm
  1

• Draft implementation of Torsion-Net Extended

  #25 opened 3 years ago by runxuanjiang
  1

• Improving environment

  #21 opened 4 years ago by joshkamm
  0

• Mapping torsions to molecular building blocks

  #23 opened 3 years ago by joshkamm
  9

• Update molecule generators to updated stko API

  #36 opened 4 years ago by joshkamm
  0

• Create pytests for molecule generation classes

  #34 opened 4 years ago by joshkamm
  0

• Multiple building block molecular environment

  #30 opened 4 years ago by joshkamm
  2

• Update XorGate API so it integrates with torsion wrapper API

  #29 opened 4 years ago by joshkamm
  2

• Implement better logging system (TensorboardX)

  #24 opened 4 years ago by runxuanjiang
  0

• Environment cleanup

  #20 opened 4 years ago by joshkamm
  1

• New features and fixes

  #16 opened 4 years ago by runxuanjiang
  0

• Update python environment

  #22 opened 4 years ago by joshkamm
  1

• Improving duplicate detection

  #19 opened 4 years ago by joshkamm
  0

• Environment caching of state action pairs

  #18 opened 4 years ago by joshkamm
  0

• Clean up repository

  #13 opened 4 years ago by runxuanjiang
  0