Instructions to use jonghyunlee1993/ChemBERT_ChEMBL_pretrained with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- Transformers
How to use jonghyunlee1993/ChemBERT_ChEMBL_pretrained with Transformers:
# Use a pipeline as a high-level helper from transformers import pipeline pipe = pipeline("feature-extraction", model="jonghyunlee1993/ChemBERT_ChEMBL_pretrained")# pip install -U transformers accelerate # Load model directly from transformers import AutoTokenizer, AutoModel tokenizer = AutoTokenizer.from_pretrained("jonghyunlee1993/ChemBERT_ChEMBL_pretrained") model = AutoModel.from_pretrained("jonghyunlee1993/ChemBERT_ChEMBL_pretrained", device_map="auto") - Notebooks
- Google Colab
- Kaggle
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Jonghyun Lee# Molecular BERT Pretrained Using ChEMBL Database This model has been pretrained based on the methodology outlined in the paper [Pushing the Boundaries of Molecular Property Prediction for Drug Discovery with Multitask Learning BERT Enhanced by SMILES Enumeration](https://spj.science.org/doi/10.34133/research.0004). While the original model was initially trained using custom code, it has been adapted for use within the Hugging Face Transformers framework in this project. ## Model Details The model architecture utilized is based on BERT. Here are the key configuration details: ``` BertConfig( vocab_size=len(tokenizer_pretrained.vocab), hidden_size=256, num_hidden_layers=8, num_attention_heads=8, intermediate_size=1024, hidden_act="gelu", hidden_dropout_prob=0.1, attention_probs_dropout_prob=0.1, max_position_embeddings=max_seq_len, type_vocab_size=1, pad_token_id=tokenizer_pretrained.vocab["[PAD]"], position_embedding_type="absolute" ) …2d62678 -
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