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Add the CASTER model #17

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benedekrozemberczki opened this issue Jan 11, 2022 · 1 comment · Fixed by #73
Closed

Add the CASTER model #17

benedekrozemberczki opened this issue Jan 11, 2022 · 1 comment · Fixed by #73
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@benedekrozemberczki
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benedekrozemberczki commented Jan 11, 2022

  • Please read the paper first. It is here.
  • There is also code-release with the paper here.
  • After that read the contributing guidelines.
  • If there is an existing open-source version of the model please take a look.
  • ChemicalX is built on top of PyTorch 1.10. and torchdrug.
  • The library heavily builds on top on torchdrug and molecules in batches are PackedGraphs.
  • There is already a model class under ./chemicalx/models/
  • Context features, drug level features, and labels are all FloatTensors.
  • Look at the examples and tests under ./examples/ and ./tests/.
  • Add auxiliary layers as you see fit - please document these, add tests, and add these layers to the main readme.md if needed.
  • Add typing to the initialization and forward pass.
  • Non-data-dependent hyperparameters should have default values.
  • Please add tests under ./tests/ and make sure that your model/layer is tested with real data.
  • Write an example under ./examples/. What is the AUC on the test set? Is it reasonable?
@cthoyt
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cthoyt commented Jan 12, 2022

Duplicate of #15

@benedekrozemberczki benedekrozemberczki self-assigned this Jan 14, 2022
@cthoyt cthoyt added the model label Feb 1, 2022
@benedekrozemberczki benedekrozemberczki linked a pull request Feb 3, 2022 that will close this issue
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3 participants