CompRhys/aviary

Issues

• Add Implementors and References as properties of the models?

  #67 opened 3 months ago by CompRhys
  1

• Add code to Base Class to make it easier to extract the learnt embeddings from the models.

  #66 opened 5 months ago by CompRhys
  0

• Add data file for the number of sym-ops per space group

  #16 opened 5 months ago by CompRhys
  0

• Is there matbench benchmark result for Wrenformer?

  #72 opened 2 years ago by hongshuh
  6

• How to extract learned representation for transfer learning

  #65 opened 2 years ago by sarah-allec
  2

• Refactor `aviary/utils.py`

  #32 opened 2 years ago by janosh
  1

• How to predict on new materials with saved pytorch file

  #63 opened 2 years ago by sarah-allec
  10

• TypeError: 'NoneType' object is not iterable

  #57 opened 2 years ago by PinwenGuan
  4

• Wren: Why does averaging of augmented Wyckoff positions happen inside the NN, after message passing?

  #54 opened 2 years ago by sgbaird
  11

• Add models that are equivalent to Roost

  #10 opened 2 years ago by CompRhys
  11

• Git Surgery Plan

  #36 opened 2 years ago by CompRhys
  6

• `train_ensemble` and `results_multitask` only accept `torch.utils.data.Subset`

  #41 opened 3 years ago by janosh
  0

• kwarg for `verbose`

  #24 opened 3 years ago by sgbaird
  3

• Refactor to have Consistent Docstrings

  #29 opened 3 years ago by CompRhys
  4

• `Roost.forward()` and `Wren.forward()` return type tuple or generator?

  #30 opened 3 years ago by janosh
  2

• Is the `val_set` kwarg within `train_ensemble` used to affect the fitting process in any way?

  #28 opened 3 years ago by sgbaird
  2

• separate `fit` and `predict`

  #25 opened 3 years ago by sgbaird
  7

• Add tests for Wren

  #2 opened 3 years ago by janosh
  3

• Suggested parameters for a "performance" submission to matbench

  #26 opened 3 years ago by sgbaird
  3

• Instructions for use with custom datasets

  #23 opened 3 years ago by sgbaird
  5

• Roost Colab default Cuda version issue

  #21 opened 3 years ago by jdagdelen
  4

• Readme disclaimer correct?

  #19 opened 3 years ago by janosh
  1

• Automatically search for AFLOW executable

  #15 opened 3 years ago by CompRhys
  0

• test_regression_metrics + test_classification_metrics

  #12 opened 3 years ago by janosh
  1

• Add "Open in colab" readme badge

  #3 opened 3 years ago by janosh
  0

• Make pip installable

  #1 opened 3 years ago by janosh
  0