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--- |
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tags: |
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- generated_from_trainer |
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model-index: |
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- name: SMILES_BERT |
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results: [] |
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--- |
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# SMILES_BERT |
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A BERT model trained on a list of 50,000 SMILES for MLM |
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## Model description |
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This model is a BERT model that was trained on a list of 50k SMILES. The SMILES were sourced from BindingDB and the compounds bind to certain proteins |
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with some affinity. The purpose of this model was to provide a model which can then be fine-tuned for other tasks in which SMILES data can be useful. |
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## Intended uses & limitations |
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This model was trained in order to provide a model which can then be fine-tuned for other tasks in which SMILES data can be useful such as |
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predicting physical properties, chemical activity, or biological activity. |
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## Training and evaluation data |
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More information needed |
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## Training procedure |
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### Training hyperparameters |
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The following hyperparameters were used during training: |
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- learning_rate: 5e-05 |
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- train_batch_size: 64 |
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- eval_batch_size: 8 |
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- seed: 42 |
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- optimizer: Adam with betas=(0.9,0.999) and epsilon=1e-08 |
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- lr_scheduler_type: linear |
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- num_epochs: 3 |
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### Training results |
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Training Loss: 0.9446000 |
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Further evaluation is needed |
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### Framework versions |
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- Transformers 4.37.0.dev0 |
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- Pytorch 2.1.0+cu121 |
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- Tokenizers 0.15.0 |
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