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lines changed Original file line number Diff line number Diff line change @@ -6,20 +6,20 @@ ChEBai is a deep learning library that allows the combination of deep learning
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## Pretraining
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```
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- python -m chebai fit --config=[path-to-your-config] --trainer.callbacks=configs/training/default_callbacks.yml
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+ fit --data.class_path= chebai.preprocessing.datasets.pubchem.SWJChem --model=configs/model/electra-for-pretraining.ElectraPre --model.train_metrics=configs/metrics/micro-macro-f1.yml --model.val_metrics=configs/metrics/micro-macro-f1.yml --model.test_metrics=configs/metrics/micro-macro-f1.yml --trainer=configs/training/default_trainer.yml --trainer.callbacks=configs/training/default_callbacks.yml
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```
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## Structure-based ontology extension
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```
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- python -m chebai train --config=[path-to-your-electra_chebi100-config] --trainer.callbacks=configs/training/default_callbacks.yml --model.pretrained_checkpoint=[path-to-pretrained-model] --model.load_prefix=generator.
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+ python -m chebai fit --config=[path-to-your-electra_chebi100-config] --trainer.callbacks=configs/training/default_callbacks.yml --model.pretrained_checkpoint=[path-to-pretrained-model] --model.load_prefix=generator.
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```
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## Fine-tuning for Toxicity prediction
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```
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- python -m chebai train --config=[path-to-your-tox21-config] --trainer.callbacks=configs/training/default_callbacks.yml --model.pretrained_checkpoint=[path-to-pretrained-model] --model.load_prefix=generator.
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+ python -m chebai fit --config=[path-to-your-tox21-config] --trainer.callbacks=configs/training/default_callbacks.yml --model.pretrained_checkpoint=[path-to-pretrained-model] --model.load_prefix=generator.
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```
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```
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