choderalab/mtenn

Issues

• `mtenn.__version__ is not working as the import has been removed

  #68 opened a month ago by hmacdope
  0

• Support MacOS-latest ARM runners

  #62 opened 2 months ago by hmacdope
  0

• Incorrect updating for GATModelConfig

  #64 opened 4 months ago by kaminow
  0

• Switch to MacOS-13 runner to avoid ARM compat issues

  #60 opened 4 months ago by hmacdope
  0

• Migrate GAT from DGL to Pytorch Geometric

  #59 opened 5 months ago by kaminow
  3

• Get rid of LigandOnlyModel?

  #58 opened 5 months ago by kaminow
  0

• VisNet requires PyG-nightly until 2.5.0 release

  #42 opened 5 months ago by fyng
  1

• Having a 0 in an Irreps string raises an e3nn error

  #54 opened 5 months ago by kaminow
  0

• Fsspec missing from runner

  #56 opened 5 months ago by hmacdope
  1

• Switch github actions to use micromamba

  #15 opened 6 months ago by hmacdope
  1

• Improve test coverage

  #45 opened 6 months ago by hmacdope
  2

• New 0.5.1 release

  #50 opened 7 months ago by hmacdope
  2

• Building an e3nn model from a reference has the wrong code

  #48 opened 7 months ago by kaminow
  0

• Implement ViSNet from pytorch geometric

  #40 opened 7 months ago by fyng
  0

• Add explainability to structural ML

  #46 opened 7 months ago by fyng
  0

• Add `_version.py` to gitignore

  #16 opened 7 months ago by hmacdope
  1

• Conda forge and PyPi packaging

  #14 opened 7 months ago by hmacdope
  0

• PyPi and conda release

  #20 opened 7 months ago by hmacdope
  3

• More pythonic way to pass args.

  #39 opened 8 months ago by hmacdope
  1

• Update README.md

  #37 opened 8 months ago by kaminow
  0

• Unify `conversion_utils` model constructors

  #33 opened 8 months ago by kaminow
  0

• Re add 3.11 now that `pytorch_geometric` is fixed upstream

  #32 opened 10 months ago by hmacdope
  0

• Add tests and CI

  #28 opened a year ago by hmacdope
  0

• DGL 1.1 breaks GAT model construction

  #23 opened a year ago by kaminow
  1

• Migrate GAT model from asapdiscovery-ml

  #21 opened a year ago by kaminow
  0

• Setup default branch protection

  #17 opened a year ago by mikemhenry
  1

• Versioneer not working as intented

  #8 opened a year ago by hmacdope
  0

• Add torch-cluster dependency.

  #9 opened a year ago by hmacdope
  0

• Clever package name?

  #2 opened a year ago by jchodera
  3

• CI not running?

  #12 opened a year ago by hmacdope
  1