---
tags:
- generated_from_trainer
model-index:
- name: SMILES_BERT
  results: []
---

# SMILES_BERT

A BERT model trained on a list of 50,000 SMILES for MLM

## Model description

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
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.

## Intended uses & limitations

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 
predicting physical properties, chemical activity, or biological activity. 

## Training and evaluation data

More information needed

## Training procedure

### Training hyperparameters

The following hyperparameters were used during training:
- learning_rate: 5e-05
- train_batch_size: 64
- eval_batch_size: 8
- seed: 42
- optimizer: Adam with betas=(0.9,0.999) and epsilon=1e-08
- lr_scheduler_type: linear
- num_epochs: 3

### Training results

Training Loss: 0.9446000

Further evaluation is needed

### Framework versions

- Transformers 4.37.0.dev0
- Pytorch 2.1.0+cu121
- Tokenizers 0.15.0