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lil robot guy

Canonical recipes

Directory that contains all the prime examples of Anvil recipe.yamls for each model in the OpenADMET suite.

Current available models are:

canonical_recipes/
├── multitask/
  ├── chemeleon
  └── chemprop
├── single_task/
  ├── chemeleon
  ├── chemprop
  ├── gat # still in progress
  ├── lgbm
  ├── tabpfn # still in progress
  └── xgboost
  └── catboost
  └── random forest
  └── dummy

Models that should really only be run on GPU are:

  • Chemeleon (DL)
  • Chemprop (DL)
  • TabPFN (huge featurizer)

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